4-(1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropyl)oxane;4-(1-cyclopenta-1,4-dien-1-yl-2,2-dimethylpropyl)oxane;3-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,3-oxazole;5-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;2-[2,2-dimethyl-1-(oxan-4-yl)propyl]pyridine;4-(2,2-dimethyl-1-phenylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-2-ylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-3-ylpropyl)oxane;4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane;4-[1-(furan-3-yl)-2,2-dimethylpropyl]oxane

C169H267N5O18S2 — CID 161162589

IUPAC4-(1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropyl)oxane;4-(1-cyclopenta-1,4-dien-1-yl-2,2-dimethylpropyl)oxane;3-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,3-oxazole;5-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;2-[2,2-dimethyl-1-(oxan-4-yl)propyl]pyridine;4-(2,2-dimethyl-1-phenylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-2-ylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-3-ylpropyl)oxane;4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane;4-[1-(furan-3-yl)-2,2-dimethylpropyl]oxane
SMILESCC(C)(C)C(C1=CC=CC1)C1CCOCC1.CC(C)(C)C(C1=CCC=C1)C1CCOCC1.CC(C)(C)C(c1ccccc1)C1CCOCC1.CC(C)(C)C(c1ccccn1)C1CCOCC1.CC(C)(C)C(c1ccco1)C1CCOCC1.CC(C)(C)C(c1cccs1)C1CCOCC1.CC(C)(C)C(c1ccno1)C1CCOCC1.CC(C)(C)C(c1ccoc1)C1CCOCC1.CC(C)(C)C(c1ccon1)C1CCOCC1.CC(C)(C)C(c1ccsc1)C1CCOCC1.CC(C)(C)C(c1cnoc1)C1CCOCC1.CC(C)(C)C(c1cocn1)C1CCOCC1
InChIInChI=1S/C16H24O.C15H23NO.2C15H24O.2C14H22O2.2C14H22OS.4C13H21NO2/c1-16(2,3)15(13-7-5-4-6-8-13)14-9-11-17-12-10-14;1-15(2,3)14(12-7-10-17-11-8-12)13-6-4-5-9-16-13;2*1-15(2,3)14(12-6-4-5-7-12)13-8-10-16-11-9-13;1-14(2,3)13(12-6-9-16-10-12)11-4-7-15-8-5-11;1-14(2,3)13(12-5-4-8-16-12)11-6-9-15-10-7-11;1-14(2,3)13(12-6-9-16-10-12)11-4-7-15-8-5-11;1-14(2,3)13(12-5-4-10-16-12)11-6-8-15-9-7-11;1-13(2,3)12(11-4-7-14-16-11)10-5-8-15-9-6-10;1-13(2,3)12(11-6-9-16-14-11)10-4-7-15-8-5-10;1-13(2,3)12(11-8-16-9-14-11)10-4-6-15-7-5-10;1-13(2,3)12(11-8-14-16-9-11)10-4-6-15-7-5-10/h4-8,14-15H,9-12H2,1-3H3;4-6,9,12,14H,7-8,10-11H2,1-3H3;4,6-7,13-14H,5,8-11H2,1-3H3;4-6,13-14H,7-11H2,1-3H3;6,9-11,13H,4-5,7-8H2,1-3H3;4-5,8,11,13H,6-7,9-10H2,1-3H3;6,9-11,13H,4-5,7-8H2,1-3H3;4-5,10-11,13H,6-9H2,1-3H3;4,7,10,12H,5-6,8-9H2,1-3H3;6,9-10,12H,4-5,7-8H2,1-3H3;2*8-10,12H,4-7H2,1-3H3
InChIKeyUQCQBYUPKKAZFT-UHFFFAOYSA-N
MW2721.15 g/mol
LogP45.01
Rot. Bonds24

About 4-(1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropyl)oxane;4-(1-cyclopenta-1,4-dien-1-yl-2,2-dimethylpropyl)oxane;3-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,3-oxazole;5-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;2-[2,2-dimethyl-1-(oxan-4-yl)propyl]pyridine;4-(2,2-dimethyl-1-phenylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-2-ylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-3-ylpropyl)oxane;4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane;4-[1-(furan-3-yl)-2,2-dimethylpropyl]oxane

4-(1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropyl)oxane;4-(1-cyclopenta-1,4-dien-1-yl-2,2-dimethylpropyl)oxane;3-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,3-oxazole;5-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;2-[2,2-dimethyl-1-(oxan-4-yl)propyl]pyridine;4-(2,2-dimethyl-1-phenylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-2-ylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-3-ylpropyl)oxane;4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane;4-[1-(furan-3-yl)-2,2-dimethylpropyl]oxane (PubChem CID 161162589) has the molecular formula C169H267N5O18S2 and a molecular weight of 2721.15 g/mol. Its IUPAC name is 4-(1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropyl)oxane;4-(1-cyclopenta-1,4-dien-1-yl-2,2-dimethylpropyl)oxane;3-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,3-oxazole;5-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;2-[2,2-dimethyl-1-(oxan-4-yl)propyl]pyridine;4-(2,2-dimethyl-1-phenylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-2-ylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-3-ylpropyl)oxane;4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane;4-[1-(furan-3-yl)-2,2-dimethylpropyl]oxane.

Molecular Properties

Compound Name4-(1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropyl)oxane;4-(1-cyclopenta-1,4-dien-1-yl-2,2-dimethylpropyl)oxane;3-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,3-oxazole;5-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;2-[2,2-dimethyl-1-(oxan-4-yl)propyl]pyridine;4-(2,2-dimethyl-1-phenylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-2-ylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-3-ylpropyl)oxane;4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane;4-[1-(furan-3-yl)-2,2-dimethylpropyl]oxane
PubChem CID161162589
Molecular FormulaC169H267N5O18S2
Molecular Weight2721.15 g/mol
Exact Mass2718.96
IUPAC Name4-(1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropyl)oxane;4-(1-cyclopenta-1,4-dien-1-yl-2,2-dimethylpropyl)oxane;3-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,3-oxazole;5-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;2-[2,2-dimethyl-1-(oxan-4-yl)propyl]pyridine;4-(2,2-dimethyl-1-phenylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-2-ylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-3-ylpropyl)oxane;4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane;4-[1-(furan-3-yl)-2,2-dimethylpropyl]oxane
SMILESCC(C)(C)C(C1=CC=CC1)C1CCOCC1.CC(C)(C)C(C1=CCC=C1)C1CCOCC1.CC(C)(C)C(c1ccccc1)C1CCOCC1.CC(C)(C)C(c1ccccn1)C1CCOCC1.CC(C)(C)C(c1ccco1)C1CCOCC1.CC(C)(C)C(c1cccs1)C1CCOCC1.CC(C)(C)C(c1ccno1)C1CCOCC1.CC(C)(C)C(c1ccoc1)C1CCOCC1.CC(C)(C)C(c1ccon1)C1CCOCC1.CC(C)(C)C(c1ccsc1)C1CCOCC1.CC(C)(C)C(c1cnoc1)C1CCOCC1.CC(C)(C)C(c1cocn1)C1CCOCC1
InChIInChI=1S/C16H24O.C15H23NO.2C15H24O.2C14H22O2.2C14H22OS.4C13H21NO2/c1-16(2,3)15(13-7-5-4-6-8-13)14-9-11-17-12-10-14;1-15(2,3)14(12-7-10-17-11-8-12)13-6-4-5-9-16-13;2*1-15(2,3)14(12-6-4-5-7-12)13-8-10-16-11-9-13;1-14(2,3)13(12-6-9-16-10-12)11-4-7-15-8-5-11;1-14(2,3)13(12-5-4-8-16-12)11-6-9-15-10-7-11;1-14(2,3)13(12-6-9-16-10-12)11-4-7-15-8-5-11;1-14(2,3)13(12-5-4-10-16-12)11-6-8-15-9-7-11;1-13(2,3)12(11-4-7-14-16-11)10-5-8-15-9-6-10;1-13(2,3)12(11-6-9-16-14-11)10-4-7-15-8-5-10;1-13(2,3)12(11-8-16-9-14-11)10-4-6-15-7-5-10;1-13(2,3)12(11-8-14-16-9-11)10-4-6-15-7-5-10/h4-8,14-15H,9-12H2,1-3H3;4-6,9,12,14H,7-8,10-11H2,1-3H3;4,6-7,13-14H,5,8-11H2,1-3H3;4-6,13-14H,7-11H2,1-3H3;6,9-11,13H,4-5,7-8H2,1-3H3;4-5,8,11,13H,6-7,9-10H2,1-3H3;6,9-11,13H,4-5,7-8H2,1-3H3;4-5,10-11,13H,6-9H2,1-3H3;4,7,10,12H,5-6,8-9H2,1-3H3;6,9-10,12H,4-5,7-8H2,1-3H3;2*8-10,12H,4-7H2,1-3H3
InChIKeyUQCQBYUPKKAZFT-UHFFFAOYSA-N
XLogP45.01
TPSA254.05 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002721.15
LogP ≤ 545.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 4-(1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropyl)oxane;4-(1-cyclopenta-1,4-dien-1-yl-2,2-dimethylpropyl)oxane;3-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,3-oxazole;5-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;2-[2,2-dimethyl-1-(oxan-4-yl)propyl]pyridine;4-(2,2-dimethyl-1-phenylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-2-ylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-3-ylpropyl)oxane;4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane;4-[1-(furan-3-yl)-2,2-dimethylpropyl]oxane with MolForge

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Related Compounds

2,4-Dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-4-phenylthiophene;2-methyl-5-phenylthiophene;1-methylpyrrole
CID 157702497
2,2-Dimethylhexan-3-ylbenzene;1-(2,2-dimethylhexan-3-yl)cyclopenta-1,3-diene;2-(2,2-dimethylhexan-3-yl)cyclopenta-1,3-diene;2-(2,2-dimethylhexan-3-yl)furan;3-(2,2-dimethylhexan-3-yl)furan;3-(2,2-dimethylhexan-3-yl)-1,2-oxazole;4-(2,2-dimethylhexan-3-yl)-1,2-oxazole;4-(2,2-dimethylhexan-3-yl)-1,3-oxazole;5-(2,2-dimethylhexan-3-yl)-1,2-oxazole;2-(2,2-dimethylhexan-3-yl)pyridine;2-(2,2-dimethylhexan-3-yl)thiophene;3-(2,2-dimethylhexan-3-yl)thiophene
CID 157926806
1-Methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde
CID 158060761
1-Methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3-oxazol-2-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde
CID 158127365
tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylfuran);3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;2-tert-butylpyridine;5-tert-butyl-3H-pyrrole;2-tert-butylthiophene
CID 158273706
2,4-Dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-5-phenylthiophene;1-methylpyrrole;3-methyl-1,2-thiazole
CID 158420461
1-methyl-4-(4-octoxyphenyl)benzene;5-octoxy-2,3-dihydro-1H-indene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde
CID 158698161
2,4-Dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;2-methyl-4-phenylthiophene;2-methyl-5-phenylthiophene;1-methylpyrrole;2-methylthiophene;3-methylthiophene
CID 158749676
3-(Ethoxymethyl)pyridine;5-(ethoxymethyl)-1,3-thiazole;2-(2-methoxyethyl)furan;5-(2-methoxyethyl)-4-methyl-1,3-thiazole;5-(2-methoxyethyl)-1,2-oxazole;3-(2-methoxyethyl)pyridine;2-(2-methoxyethyl)thiophene;3-(2-methoxyethyl)thiophene;3-(methoxymethyl)furan;3-(methoxymethyl)-3-methyloxetane;3-(methoxymethyl)oxane;4-(methoxymethyl)-1,3-oxazole;3-(methoxymethyl)oxolane;3-(methoxymethyl)pyridine;4-methoxyoxane;3-methoxyoxolane;4-methylphenol;3-prop-1-enylpyridine;3-propylpyridine
CID 159417718
4-[5-(4-Pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde
CID 159695418
3-(2,2-Dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)-1,3-oxazole;5-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene
CID 159941197
1-Methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde
CID 160190772

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropyl)oxane;4-(1-cyclopenta-1,4-dien-1-yl-2,2-dimethylpropyl)oxane;3-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,3-oxazole;5-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;2-[2,2-dimethyl-1-(oxan-4-yl)propyl]pyridine;4-(2,2-dimethyl-1-phenylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-2-ylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-3-ylpropyl)oxane;4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane;4-[1-(furan-3-yl)-2,2-dimethylpropyl]oxane?
The IUPAC name of 4-(1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropyl)oxane;4-(1-cyclopenta-1,4-dien-1-yl-2,2-dimethylpropyl)oxane;3-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,3-oxazole;5-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;2-[2,2-dimethyl-1-(oxan-4-yl)propyl]pyridine;4-(2,2-dimethyl-1-phenylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-2-ylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-3-ylpropyl)oxane;4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane;4-[1-(furan-3-yl)-2,2-dimethylpropyl]oxane (CID 161162589) is 4-(1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropyl)oxane;4-(1-cyclopenta-1,4-dien-1-yl-2,2-dimethylpropyl)oxane;3-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,3-oxazole;5-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;2-[2,2-dimethyl-1-(oxan-4-yl)propyl]pyridine;4-(2,2-dimethyl-1-phenylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-2-ylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-3-ylpropyl)oxane;4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane;4-[1-(furan-3-yl)-2,2-dimethylpropyl]oxane.
What is the SMILES notation for 4-(1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropyl)oxane;4-(1-cyclopenta-1,4-dien-1-yl-2,2-dimethylpropyl)oxane;3-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,3-oxazole;5-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;2-[2,2-dimethyl-1-(oxan-4-yl)propyl]pyridine;4-(2,2-dimethyl-1-phenylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-2-ylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-3-ylpropyl)oxane;4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane;4-[1-(furan-3-yl)-2,2-dimethylpropyl]oxane?
The canonical SMILES for 4-(1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropyl)oxane;4-(1-cyclopenta-1,4-dien-1-yl-2,2-dimethylpropyl)oxane;3-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,3-oxazole;5-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;2-[2,2-dimethyl-1-(oxan-4-yl)propyl]pyridine;4-(2,2-dimethyl-1-phenylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-2-ylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-3-ylpropyl)oxane;4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane;4-[1-(furan-3-yl)-2,2-dimethylpropyl]oxane is CC(C)(C)C(C1=CC=CC1)C1CCOCC1.CC(C)(C)C(C1=CCC=C1)C1CCOCC1.CC(C)(C)C(c1ccccc1)C1CCOCC1.CC(C)(C)C(c1ccccn1)C1CCOCC1.CC(C)(C)C(c1ccco1)C1CCOCC1.CC(C)(C)C(c1cccs1)C1CCOCC1.CC(C)(C)C(c1ccno1)C1CCOCC1.CC(C)(C)C(c1ccoc1)C1CCOCC1.CC(C)(C)C(c1ccon1)C1CCOCC1.CC(C)(C)C(c1ccsc1)C1CCOCC1.CC(C)(C)C(c1cnoc1)C1CCOCC1.CC(C)(C)C(c1cocn1)C1CCOCC1.
What is the InChIKey of 4-(1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropyl)oxane;4-(1-cyclopenta-1,4-dien-1-yl-2,2-dimethylpropyl)oxane;3-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,3-oxazole;5-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;2-[2,2-dimethyl-1-(oxan-4-yl)propyl]pyridine;4-(2,2-dimethyl-1-phenylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-2-ylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-3-ylpropyl)oxane;4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane;4-[1-(furan-3-yl)-2,2-dimethylpropyl]oxane?
The InChIKey is UQCQBYUPKKAZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O.C15H23NO.2C15H24O.2C14H22O2.2C14H22OS.4C13H21NO2/c1-16(2,3)15(13-7-5-4-6-8-13)14-9-11-17-12-10-14;1-15(2,3)14(12-7-10-17-11-8-12)13-6-4-5-9-16-13;2*1-15(2,3)14(12-6-4-5-7-12)13-8-10-16-11-9-13;1-14(2,3)13(12-6-9-16-10-12)11-4-7-15-8-5-11;1-14(2,3)13(12-5-4-8-16-12)11-6-9-15-10-7-11;1-14(2,3)13(12-6-9-16-10-12)11-4-7-15-8-5-11;1-14(2,3)13(12-5-4-10-16-12)11-6-8-15-9-7-11;1-13(2,3)12(11-4-7-14-16-11)10-5-8-15-9-6-10;1-13(2,3)12(11-6-9-16-14-11)10-4-7-15-8-5-10;1-13(2,3)12(11-8-16-9-14-11)10-4-6-15-7-5-10;1-13(2,3)12(11-8-14-16-9-11)10-4-6-15-7-5-10/h4-8,14-15H,9-12H2,1-3H3;4-6,9,12,14H,7-8,10-11H2,1-3H3;4,6-7,13-14H,5,8-11H2,1-3H3;4-6,13-14H,7-11H2,1-3H3;6,9-11,13H,4-5,7-8H2,1-3H3;4-5,8,11,13H,6-7,9-10H2,1-3H3;6,9-11,13H,4-5,7-8H2,1-3H3;4-5,10-11,13H,6-9H2,1-3H3;4,7,10,12H,5-6,8-9H2,1-3H3;6,9-10,12H,4-5,7-8H2,1-3H3;2*8-10,12H,4-7H2,1-3H3.
What are the key properties of 4-(1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropyl)oxane;4-(1-cyclopenta-1,4-dien-1-yl-2,2-dimethylpropyl)oxane;3-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,3-oxazole;5-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;2-[2,2-dimethyl-1-(oxan-4-yl)propyl]pyridine;4-(2,2-dimethyl-1-phenylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-2-ylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-3-ylpropyl)oxane;4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane;4-[1-(furan-3-yl)-2,2-dimethylpropyl]oxane?
4-(1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropyl)oxane;4-(1-cyclopenta-1,4-dien-1-yl-2,2-dimethylpropyl)oxane;3-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,3-oxazole;5-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;2-[2,2-dimethyl-1-(oxan-4-yl)propyl]pyridine;4-(2,2-dimethyl-1-phenylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-2-ylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-3-ylpropyl)oxane;4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane;4-[1-(furan-3-yl)-2,2-dimethylpropyl]oxane has a molecular weight of 2721.15 g/mol, XLogP of 45.01, 24 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropyl)oxane;4-(1-cyclopenta-1,4-dien-1-yl-2,2-dimethylpropyl)oxane;3-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,3-oxazole;5-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;2-[2,2-dimethyl-1-(oxan-4-yl)propyl]pyridine;4-(2,2-dimethyl-1-phenylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-2-ylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-3-ylpropyl)oxane;4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane;4-[1-(furan-3-yl)-2,2-dimethylpropyl]oxane is sourced from PubChem (CID 161162589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).