3,6,7-trimethyl-1-phenylbicyclo[3.3.1]nonane-3-carbaldehyde

C19H26O — CID 162525807

IUPAC3,6,7-trimethyl-1-phenylbicyclo[3.3.1]nonane-3-carbaldehyde
SMILESCC1CC2(c3ccccc3)CC(CC(C)(C=O)C2)C1C
InChIInChI=1S/C19H26O/c1-14-9-19(17-7-5-4-6-8-17)11-16(15(14)2)10-18(3,12-19)13-20/h4-8,13-16H,9-12H2,1-3H3
InChIKeyCJPDYHOTLOSKSI-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.61
Rot. Bonds2

About 3,6,7-trimethyl-1-phenylbicyclo[3.3.1]nonane-3-carbaldehyde

3,6,7-trimethyl-1-phenylbicyclo[3.3.1]nonane-3-carbaldehyde (PubChem CID 162525807) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 3,6,7-trimethyl-1-phenylbicyclo[3.3.1]nonane-3-carbaldehyde.

Molecular Properties

Compound Name3,6,7-trimethyl-1-phenylbicyclo[3.3.1]nonane-3-carbaldehyde
PubChem CID162525807
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name3,6,7-trimethyl-1-phenylbicyclo[3.3.1]nonane-3-carbaldehyde
SMILESCC1CC2(c3ccccc3)CC(CC(C)(C=O)C2)C1C
InChIInChI=1S/C19H26O/c1-14-9-19(17-7-5-4-6-8-17)11-16(15(14)2)10-18(3,12-19)13-20/h4-8,13-16H,9-12H2,1-3H3
InChIKeyCJPDYHOTLOSKSI-UHFFFAOYSA-N
XLogP4.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

formamide;3,3,6,7-tetramethyl-1-phenylbicyclo[3.3.1]nonane;1,1,1-trifluoropropane
CID 162525840
3,6,7-trimethyl-3-(methylsulfanylmethyl)-1-phenylbicyclo[3.3.1]nonane
CID 162525928
3,6,7-trimethyl-1-phenylbicyclo[3.3.1]nonane-3-carbothialdehyde;1,3,3-trimethylpiperidin-4-amine
CID 162525292
6-(chloromethyl)-3,3,7-trimethyl-1-phenylbicyclo[3.3.1]nonane;formamide
CID 162526001
7-(chloromethyl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carbaldehyde
CID 162525473
6-(2-fluoroethyl)-3,3,7-trimethyl-1-phenylbicyclo[3.3.1]nonane;formamide
CID 162525701
cyclohexanamine;6-ethyl-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carbothialdehyde
CID 162525919
6-(difluoromethyl)-3,3,7-trimethyl-1-phenylbicyclo[3.3.1]nonane;methanethioamide
CID 162525967
(3,7-dimethyl-5-phenyl-2-bicyclo[3.3.1]nonanyl)methanol;uranium;hydrate
CID 162754744
6-(4-chloro-2-methylbutyl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxylic acid
CID 162525677
cyclohexanamine;3,7-dimethyl-7-(nitrosomethyl)-1-phenylbicyclo[3.3.1]nonane-3-carbaldehyde
CID 162754693
[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-(6-methyl-3-phenyl-1-adamantyl)methanone
CID 162526040

Frequently Asked Questions

What is the IUPAC name of 3,6,7-trimethyl-1-phenylbicyclo[3.3.1]nonane-3-carbaldehyde?
The IUPAC name of 3,6,7-trimethyl-1-phenylbicyclo[3.3.1]nonane-3-carbaldehyde (CID 162525807) is 3,6,7-trimethyl-1-phenylbicyclo[3.3.1]nonane-3-carbaldehyde.
What is the SMILES notation for 3,6,7-trimethyl-1-phenylbicyclo[3.3.1]nonane-3-carbaldehyde?
The canonical SMILES for 3,6,7-trimethyl-1-phenylbicyclo[3.3.1]nonane-3-carbaldehyde is CC1CC2(c3ccccc3)CC(CC(C)(C=O)C2)C1C.
What is the InChIKey of 3,6,7-trimethyl-1-phenylbicyclo[3.3.1]nonane-3-carbaldehyde?
The InChIKey is CJPDYHOTLOSKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O/c1-14-9-19(17-7-5-4-6-8-17)11-16(15(14)2)10-18(3,12-19)13-20/h4-8,13-16H,9-12H2,1-3H3.
What are the key properties of 3,6,7-trimethyl-1-phenylbicyclo[3.3.1]nonane-3-carbaldehyde?
3,6,7-trimethyl-1-phenylbicyclo[3.3.1]nonane-3-carbaldehyde has a molecular weight of 270.42 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7-trimethyl-1-phenylbicyclo[3.3.1]nonane-3-carbaldehyde is sourced from PubChem (CID 162525807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).