(1R,5R,10S)-5-methyl-10-phenylmethoxybicyclo[4.3.1]dec-6-en-2-one

C18H22O2 — CID 11821691

IUPAC(1R,5R,10S)-5-methyl-10-phenylmethoxybicyclo[4.3.1]dec-6-en-2-one
SMILESC[C@@H]1CCC(=O)[C@@H]2CCC=C1[C@H]2OCc1ccccc1
InChIInChI=1S/C18H22O2/c1-13-10-11-17(19)16-9-5-8-15(13)18(16)20-12-14-6-3-2-4-7-14/h2-4,6-8,13,16,18H,5,9-12H2,1H3/t13-,16+,18-/m1/s1
InChIKeyPTCUAZUJGKXERU-RPVQJOFSSA-N
MW270.37 g/mol
LogP3.91
Rot. Bonds3

About (1R,5R,10S)-5-methyl-10-phenylmethoxybicyclo[4.3.1]dec-6-en-2-one

(1R,5R,10S)-5-methyl-10-phenylmethoxybicyclo[4.3.1]dec-6-en-2-one (PubChem CID 11821691) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is (1R,5R,10S)-5-methyl-10-phenylmethoxybicyclo[4.3.1]dec-6-en-2-one.

Molecular Properties

Compound Name(1R,5R,10S)-5-methyl-10-phenylmethoxybicyclo[4.3.1]dec-6-en-2-one
PubChem CID11821691
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name(1R,5R,10S)-5-methyl-10-phenylmethoxybicyclo[4.3.1]dec-6-en-2-one
SMILESC[C@@H]1CCC(=O)[C@@H]2CCC=C1[C@H]2OCc1ccccc1
InChIInChI=1S/C18H22O2/c1-13-10-11-17(19)16-9-5-8-15(13)18(16)20-12-14-6-3-2-4-7-14/h2-4,6-8,13,16,18H,5,9-12H2,1H3/t13-,16+,18-/m1/s1
InChIKeyPTCUAZUJGKXERU-RPVQJOFSSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 90086841
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Frequently Asked Questions

What is the IUPAC name of (1R,5R,10S)-5-methyl-10-phenylmethoxybicyclo[4.3.1]dec-6-en-2-one?
The IUPAC name of (1R,5R,10S)-5-methyl-10-phenylmethoxybicyclo[4.3.1]dec-6-en-2-one (CID 11821691) is (1R,5R,10S)-5-methyl-10-phenylmethoxybicyclo[4.3.1]dec-6-en-2-one.
What is the SMILES notation for (1R,5R,10S)-5-methyl-10-phenylmethoxybicyclo[4.3.1]dec-6-en-2-one?
The canonical SMILES for (1R,5R,10S)-5-methyl-10-phenylmethoxybicyclo[4.3.1]dec-6-en-2-one is C[C@@H]1CCC(=O)[C@@H]2CCC=C1[C@H]2OCc1ccccc1.
What is the InChIKey of (1R,5R,10S)-5-methyl-10-phenylmethoxybicyclo[4.3.1]dec-6-en-2-one?
The InChIKey is PTCUAZUJGKXERU-RPVQJOFSSA-N. The full InChI is InChI=1S/C18H22O2/c1-13-10-11-17(19)16-9-5-8-15(13)18(16)20-12-14-6-3-2-4-7-14/h2-4,6-8,13,16,18H,5,9-12H2,1H3/t13-,16+,18-/m1/s1.
What are the key properties of (1R,5R,10S)-5-methyl-10-phenylmethoxybicyclo[4.3.1]dec-6-en-2-one?
(1R,5R,10S)-5-methyl-10-phenylmethoxybicyclo[4.3.1]dec-6-en-2-one has a molecular weight of 270.37 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,10S)-5-methyl-10-phenylmethoxybicyclo[4.3.1]dec-6-en-2-one is sourced from PubChem (CID 11821691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).