3,7-dimethyl-3-(4-methylphenyl)bicyclo[3.3.1]nonane

C18H26 — CID 142150473

IUPAC3,7-dimethyl-3-(4-methylphenyl)bicyclo[3.3.1]nonane
SMILESCc1ccc(C2(C)CC3CC(C)CC(C3)C2)cc1
InChIInChI=1S/C18H26/c1-13-4-6-17(7-5-13)18(3)11-15-8-14(2)9-16(10-15)12-18/h4-7,14-16H,8-12H2,1-3H3
InChIKeyIOALPDGYJWUODZ-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.10
Rot. Bonds1

About 3,7-dimethyl-3-(4-methylphenyl)bicyclo[3.3.1]nonane

3,7-dimethyl-3-(4-methylphenyl)bicyclo[3.3.1]nonane (PubChem CID 142150473) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 3,7-dimethyl-3-(4-methylphenyl)bicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3,7-dimethyl-3-(4-methylphenyl)bicyclo[3.3.1]nonane
PubChem CID142150473
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name3,7-dimethyl-3-(4-methylphenyl)bicyclo[3.3.1]nonane
SMILESCc1ccc(C2(C)CC3CC(C)CC(C3)C2)cc1
InChIInChI=1S/C18H26/c1-13-4-6-17(7-5-13)18(3)11-15-8-14(2)9-16(10-15)12-18/h4-7,14-16H,8-12H2,1-3H3
InChIKeyIOALPDGYJWUODZ-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,7-dimethyl-3,7-bis(4-methylphenyl)bicyclo[3.3.1]nonane
CID 143365139
N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-4-phenyl-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]aniline
CID 155421805
N-[4-(1-adamantyl)phenyl]-N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-4-(4-phenylphenyl)aniline
CID 170129620
3,7-dimethyl-1,3,7-tris(4-methylphenyl)bicyclo[3.3.1]nonane
CID 143639532
2-[3-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)anilino]-5-(trifluoromethyl)anilino]-5-methylbenzoic acid
CID 155697207
methyl 2-[3-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)anilino]-5-(trifluoromethyl)anilino]-5-methylbenzoate
CID 155696971
[4-[(5S)-3-methyl-3-bicyclo[3.2.1]octanyl]phenyl]boronic acid
CID 174078495
3-N-dibenzofuran-3-yl-1-N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155421758
2-[4-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-N-methylanilino]-N-methylanilino]-6-methoxybenzoic acid
CID 155697064
1-methyl-4-(1,4,4-trimethylcyclohexyl)benzene
CID 140825666
2,4-bis(1-adamantyl)-6-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)benzenethiol
CID 146580318
3-[[3-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)anilino]benzoyl]amino]benzoic acid
CID 155697350

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-3-(4-methylphenyl)bicyclo[3.3.1]nonane?
The IUPAC name of 3,7-dimethyl-3-(4-methylphenyl)bicyclo[3.3.1]nonane (CID 142150473) is 3,7-dimethyl-3-(4-methylphenyl)bicyclo[3.3.1]nonane.
What is the SMILES notation for 3,7-dimethyl-3-(4-methylphenyl)bicyclo[3.3.1]nonane?
The canonical SMILES for 3,7-dimethyl-3-(4-methylphenyl)bicyclo[3.3.1]nonane is Cc1ccc(C2(C)CC3CC(C)CC(C3)C2)cc1.
What is the InChIKey of 3,7-dimethyl-3-(4-methylphenyl)bicyclo[3.3.1]nonane?
The InChIKey is IOALPDGYJWUODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1-13-4-6-17(7-5-13)18(3)11-15-8-14(2)9-16(10-15)12-18/h4-7,14-16H,8-12H2,1-3H3.
What are the key properties of 3,7-dimethyl-3-(4-methylphenyl)bicyclo[3.3.1]nonane?
3,7-dimethyl-3-(4-methylphenyl)bicyclo[3.3.1]nonane has a molecular weight of 242.41 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-3-(4-methylphenyl)bicyclo[3.3.1]nonane is sourced from PubChem (CID 142150473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).