3,6-di(propan-2-yl)-2H-chromene;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene

C62H83NO — CID 161438279

IUPAC3,6-di(propan-2-yl)-2H-chromene;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)C1=Cc2cc(C(C)C)ccc2OC1.CC(C)c1ccc2c(c1)CC(C(C)C)CC2.CC(C)c1ccc2ccc(C(C)C)cc2c1.CC(C)c1ccc2ncc(C(C)C)cc2c1
InChIInChI=1S/C16H24.C16H20.C15H19N.C15H20O/c2*1-11(2)14-7-5-13-6-8-15(12(3)4)10-16(13)9-14;2*1-10(2)12-5-6-15-13(7-12)8-14(9-16-15)11(3)4/h5,7,9,11-12,15H,6,8,10H2,1-4H3;5-12H,1-4H3;5-11H,1-4H3;5-8,10-11H,9H2,1-4H3
InChIKeyVYXXJRGCKGDVFF-UHFFFAOYSA-N
MW858.35 g/mol
LogP18.38
Rot. Bonds8

About 3,6-di(propan-2-yl)-2H-chromene;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene

3,6-di(propan-2-yl)-2H-chromene;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 161438279) has the molecular formula C62H83NO and a molecular weight of 858.35 g/mol. Its IUPAC name is 3,6-di(propan-2-yl)-2H-chromene;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name3,6-di(propan-2-yl)-2H-chromene;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
PubChem CID161438279
Molecular FormulaC62H83NO
Molecular Weight858.35 g/mol
Exact Mass857.65
IUPAC Name3,6-di(propan-2-yl)-2H-chromene;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)C1=Cc2cc(C(C)C)ccc2OC1.CC(C)c1ccc2c(c1)CC(C(C)C)CC2.CC(C)c1ccc2ccc(C(C)C)cc2c1.CC(C)c1ccc2ncc(C(C)C)cc2c1
InChIInChI=1S/C16H24.C16H20.C15H19N.C15H20O/c2*1-11(2)14-7-5-13-6-8-15(12(3)4)10-16(13)9-14;2*1-10(2)12-5-6-15-13(7-12)8-14(9-16-15)11(3)4/h5,7,9,11-12,15H,6,8,10H2,1-4H3;5-12H,1-4H3;5-11H,1-4H3;5-8,10-11H,9H2,1-4H3
InChIKeyVYXXJRGCKGDVFF-UHFFFAOYSA-N
XLogP18.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.35
LogP ≤ 518.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,6-di(propan-2-yl)-2H-chromene;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene with MolForge

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Related Compounds

3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 158899532
(2R)-2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 177260649
3,6-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline
CID 82113977
2,6-di(propan-2-yl)-3H-cyclopenta[b]naphthalene
CID 58565980
ethane;2-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 142915182
6-fluoro-3-propan-2-ylquinoline
CID 90132820
methyl-(3-propan-2-ylquinolin-6-yl)borinic acid
CID 161398353
1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 153348951
6-[1-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 167208946
6-propan-2-ylquinoline-3-carboxylic acid
CID 82113674
(3S)-3-methyl-6-propan-2-yl-1,2,3,4-tetrahydroacridine
CID 165004844
3-(bromomethyl)-6-propan-2-ylquinoline
CID 95733004

Frequently Asked Questions

What is the IUPAC name of 3,6-di(propan-2-yl)-2H-chromene;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 3,6-di(propan-2-yl)-2H-chromene;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene (CID 161438279) is 3,6-di(propan-2-yl)-2H-chromene;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 3,6-di(propan-2-yl)-2H-chromene;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 3,6-di(propan-2-yl)-2H-chromene;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene is CC(C)C1=Cc2cc(C(C)C)ccc2OC1.CC(C)c1ccc2c(c1)CC(C(C)C)CC2.CC(C)c1ccc2ccc(C(C)C)cc2c1.CC(C)c1ccc2ncc(C(C)C)cc2c1.
What is the InChIKey of 3,6-di(propan-2-yl)-2H-chromene;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is VYXXJRGCKGDVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24.C16H20.C15H19N.C15H20O/c2*1-11(2)14-7-5-13-6-8-15(12(3)4)10-16(13)9-14;2*1-10(2)12-5-6-15-13(7-12)8-14(9-16-15)11(3)4/h5,7,9,11-12,15H,6,8,10H2,1-4H3;5-12H,1-4H3;5-11H,1-4H3;5-8,10-11H,9H2,1-4H3.
What are the key properties of 3,6-di(propan-2-yl)-2H-chromene;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene?
3,6-di(propan-2-yl)-2H-chromene;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 858.35 g/mol, XLogP of 18.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(propan-2-yl)-2H-chromene;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 161438279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).