7-benzyl-4,4,5-trimethyltricyclo[3.2.1.02,7]octan-6-one

C18H22O — CID 101019735

IUPAC7-benzyl-4,4,5-trimethyltricyclo[3.2.1.02,7]octan-6-one
SMILESCC1(C)CC2C3CC1(C)C(=O)C23Cc1ccccc1
InChIInChI=1S/C18H22O/c1-16(2)10-13-14-11-17(16,3)15(19)18(13,14)9-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3
InChIKeyVXDRPXLYYPZYRH-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.87
Rot. Bonds2

About 7-benzyl-4,4,5-trimethyltricyclo[3.2.1.02,7]octan-6-one

7-benzyl-4,4,5-trimethyltricyclo[3.2.1.02,7]octan-6-one (PubChem CID 101019735) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 7-benzyl-4,4,5-trimethyltricyclo[3.2.1.02,7]octan-6-one.

Molecular Properties

Compound Name7-benzyl-4,4,5-trimethyltricyclo[3.2.1.02,7]octan-6-one
PubChem CID101019735
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name7-benzyl-4,4,5-trimethyltricyclo[3.2.1.02,7]octan-6-one
SMILESCC1(C)CC2C3CC1(C)C(=O)C23Cc1ccccc1
InChIInChI=1S/C18H22O/c1-16(2)10-13-14-11-17(16,3)15(19)18(13,14)9-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3
InChIKeyVXDRPXLYYPZYRH-UHFFFAOYSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S,2R)-2-bromo-1-methylcyclopropyl]methylbenzene
CID 125475475
[(1S,2S)-2-bromo-1-methylcyclopropyl]methylbenzene
CID 125475476
1-benzyl-4,4-dimethylpyrrolidine-2-carbaldehyde
CID 174872704
1-benzyl-2,2-dimethylcyclopentan-1-amine
CID 79857228
[(1R,2S)-1-methyl-2-propan-2-ylcyclopropyl]methylbenzene
CID 102577141
3-benzyl-3-methyloxiran-2-amine
CID 130712281
5-benzyl-2,2-dimethyloxane-4-carbaldehyde
CID 13416051
1-benzyl-2,2,6,6-tetramethylpiperidine-4-carbaldehyde
CID 170430014
(3R)-3-benzyl-3-methyloxolan-2-one
CID 10261923
3-benzyl-N,3-dimethylcyclopentan-1-amine
CID 116538980
3-benzyl-3-methylpyrrolidin-2-one
CID 10420013
2-benzyl-2-(methylamino)cyclopropan-1-one
CID 137398980

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-4,4,5-trimethyltricyclo[3.2.1.02,7]octan-6-one?
The IUPAC name of 7-benzyl-4,4,5-trimethyltricyclo[3.2.1.02,7]octan-6-one (CID 101019735) is 7-benzyl-4,4,5-trimethyltricyclo[3.2.1.02,7]octan-6-one.
What is the SMILES notation for 7-benzyl-4,4,5-trimethyltricyclo[3.2.1.02,7]octan-6-one?
The canonical SMILES for 7-benzyl-4,4,5-trimethyltricyclo[3.2.1.02,7]octan-6-one is CC1(C)CC2C3CC1(C)C(=O)C23Cc1ccccc1.
What is the InChIKey of 7-benzyl-4,4,5-trimethyltricyclo[3.2.1.02,7]octan-6-one?
The InChIKey is VXDRPXLYYPZYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-16(2)10-13-14-11-17(16,3)15(19)18(13,14)9-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3.
What are the key properties of 7-benzyl-4,4,5-trimethyltricyclo[3.2.1.02,7]octan-6-one?
7-benzyl-4,4,5-trimethyltricyclo[3.2.1.02,7]octan-6-one has a molecular weight of 254.37 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-4,4,5-trimethyltricyclo[3.2.1.02,7]octan-6-one is sourced from PubChem (CID 101019735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).