2-hydroxy-1-[(1R,2S,5S,6R)-2,5,6-trimethyl-9-methylidene-2-bicyclo[3.3.1]nonanyl]ethanone

C15H24O2 — CID 162974534

IUPAC2-hydroxy-1-[(1R,2S,5S,6R)-2,5,6-trimethyl-9-methylidene-2-bicyclo[3.3.1]nonanyl]ethanone
SMILESC=C1[C@H]2CC[C@@H](C)[C@]1(C)CC[C@]2(C)C(=O)CO
InChIInChI=1S/C15H24O2/c1-10-5-6-12-11(2)14(10,3)7-8-15(12,4)13(17)9-16/h10,12,16H,2,5-9H2,1,3-4H3/t10-,12-,14+,15+/m1/s1
InChIKeyQHWMCKMEWPWDIY-DWZYQQQCSA-N
MW236.35 g/mol
LogP2.96
Rot. Bonds2

About 2-hydroxy-1-[(1R,2S,5S,6R)-2,5,6-trimethyl-9-methylidene-2-bicyclo[3.3.1]nonanyl]ethanone

2-hydroxy-1-[(1R,2S,5S,6R)-2,5,6-trimethyl-9-methylidene-2-bicyclo[3.3.1]nonanyl]ethanone (PubChem CID 162974534) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-hydroxy-1-[(1R,2S,5S,6R)-2,5,6-trimethyl-9-methylidene-2-bicyclo[3.3.1]nonanyl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[(1R,2S,5S,6R)-2,5,6-trimethyl-9-methylidene-2-bicyclo[3.3.1]nonanyl]ethanone
PubChem CID162974534
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-hydroxy-1-[(1R,2S,5S,6R)-2,5,6-trimethyl-9-methylidene-2-bicyclo[3.3.1]nonanyl]ethanone
SMILESC=C1[C@H]2CC[C@@H](C)[C@]1(C)CC[C@]2(C)C(=O)CO
InChIInChI=1S/C15H24O2/c1-10-5-6-12-11(2)14(10,3)7-8-15(12,4)13(17)9-16/h10,12,16H,2,5-9H2,1,3-4H3/t10-,12-,14+,15+/m1/s1
InChIKeyQHWMCKMEWPWDIY-DWZYQQQCSA-N
XLogP2.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[(1R,2S,5S,6R)-2,5,6-trimethyl-9-methylidene-2-bicyclo[3.3.1]nonanyl]ethanone?
The IUPAC name of 2-hydroxy-1-[(1R,2S,5S,6R)-2,5,6-trimethyl-9-methylidene-2-bicyclo[3.3.1]nonanyl]ethanone (CID 162974534) is 2-hydroxy-1-[(1R,2S,5S,6R)-2,5,6-trimethyl-9-methylidene-2-bicyclo[3.3.1]nonanyl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[(1R,2S,5S,6R)-2,5,6-trimethyl-9-methylidene-2-bicyclo[3.3.1]nonanyl]ethanone?
The canonical SMILES for 2-hydroxy-1-[(1R,2S,5S,6R)-2,5,6-trimethyl-9-methylidene-2-bicyclo[3.3.1]nonanyl]ethanone is C=C1[C@H]2CC[C@@H](C)[C@]1(C)CC[C@]2(C)C(=O)CO.
What is the InChIKey of 2-hydroxy-1-[(1R,2S,5S,6R)-2,5,6-trimethyl-9-methylidene-2-bicyclo[3.3.1]nonanyl]ethanone?
The InChIKey is QHWMCKMEWPWDIY-DWZYQQQCSA-N. The full InChI is InChI=1S/C15H24O2/c1-10-5-6-12-11(2)14(10,3)7-8-15(12,4)13(17)9-16/h10,12,16H,2,5-9H2,1,3-4H3/t10-,12-,14+,15+/m1/s1.
What are the key properties of 2-hydroxy-1-[(1R,2S,5S,6R)-2,5,6-trimethyl-9-methylidene-2-bicyclo[3.3.1]nonanyl]ethanone?
2-hydroxy-1-[(1R,2S,5S,6R)-2,5,6-trimethyl-9-methylidene-2-bicyclo[3.3.1]nonanyl]ethanone has a molecular weight of 236.35 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[(1R,2S,5S,6R)-2,5,6-trimethyl-9-methylidene-2-bicyclo[3.3.1]nonanyl]ethanone is sourced from PubChem (CID 162974534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).