1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;5-tert-butyl-1H-pyrazole;ethane;methane

C31H60N2O — CID 160775464

IUPAC1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;5-tert-butyl-1H-pyrazole;ethane;methane
SMILESC.CC.CC.CC.CC(C)(C)C1=CC=CC1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccoc1
InChIInChI=1S/C9H14.C8H12O.C7H12N2.3C2H6.CH4/c1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-5-8-9-6;3*1-2;/h4-6H,7H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);3*1-2H3;1H4
InChIKeyRZWQFKBROUPIES-UHFFFAOYSA-N
MW476.83 g/mol
LogP10.92
Rot. Bonds

About 1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;5-tert-butyl-1H-pyrazole;ethane;methane

1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;5-tert-butyl-1H-pyrazole;ethane;methane (PubChem CID 160775464) has the molecular formula C31H60N2O and a molecular weight of 476.83 g/mol. Its IUPAC name is 1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;5-tert-butyl-1H-pyrazole;ethane;methane.

Molecular Properties

Compound Name1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;5-tert-butyl-1H-pyrazole;ethane;methane
PubChem CID160775464
Molecular FormulaC31H60N2O
Molecular Weight476.83 g/mol
Exact Mass476.47
IUPAC Name1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;5-tert-butyl-1H-pyrazole;ethane;methane
SMILESC.CC.CC.CC.CC(C)(C)C1=CC=CC1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccoc1
InChIInChI=1S/C9H14.C8H12O.C7H12N2.3C2H6.CH4/c1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-5-8-9-6;3*1-2;/h4-6H,7H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);3*1-2H3;1H4
InChIKeyRZWQFKBROUPIES-UHFFFAOYSA-N
XLogP10.92
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.83
LogP ≤ 510.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;5-tert-butyl-1H-pyrazole;ethane;methane with MolForge

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Launch Full Analysis

Related Compounds

3-(3-Furyl)pyrazole
CID 53671153
butan-2-one;2,2-difluorobutane;1,1-difluoro-2-methylbut-1-ene;2,3-dimethylfuran;4,5-dimethyl-1H-pyrazole;(E)-2-fluorobut-2-ene;methane;(E)-1,1,1-trifluoro-2-methylbut-2-ene
CID 160298929
butan-2-one;2,2-difluorobutane;1,1-difluoro-2-methylbut-1-ene;2,3-dimethylfuran;4,5-dimethyl-1H-pyrazole;(E)-2-fluorobut-2-ene;(E)-1,1,1-trifluoro-2-methylbut-2-ene
CID 162090368
5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole
CID 42633714
5-[(E)-2-(furan-3-yl)ethenyl]-1H-pyrazole
CID 44609398
5-[(Z)-2-(furan-3-yl)ethenyl]-1H-pyrazole
CID 44609399
5-(5-methylfuran-3-yl)-1H-pyrazole
CID 59763263
5-[2-(furan-3-yl)ethenyl]-1H-pyrazole
CID 66961493
5-[2-(furan-2-yl)ethenyl]-1H-pyrazole
CID 66979029
ethane;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole
CID 91158079
ethene;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole
CID 143806160
ethane;3-methylfuran;5-methyl-1H-pyrazole
CID 145132684

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;5-tert-butyl-1H-pyrazole;ethane;methane?
The IUPAC name of 1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;5-tert-butyl-1H-pyrazole;ethane;methane (CID 160775464) is 1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;5-tert-butyl-1H-pyrazole;ethane;methane.
What is the SMILES notation for 1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;5-tert-butyl-1H-pyrazole;ethane;methane?
The canonical SMILES for 1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;5-tert-butyl-1H-pyrazole;ethane;methane is C.CC.CC.CC.CC(C)(C)C1=CC=CC1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccoc1.
What is the InChIKey of 1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;5-tert-butyl-1H-pyrazole;ethane;methane?
The InChIKey is RZWQFKBROUPIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14.C8H12O.C7H12N2.3C2H6.CH4/c1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-5-8-9-6;3*1-2;/h4-6H,7H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);3*1-2H3;1H4.
What are the key properties of 1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;5-tert-butyl-1H-pyrazole;ethane;methane?
1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;5-tert-butyl-1H-pyrazole;ethane;methane has a molecular weight of 476.83 g/mol, XLogP of 10.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;5-tert-butyl-1H-pyrazole;ethane;methane is sourced from PubChem (CID 160775464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).