[(1R,5S,6S)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]methanol

C11H18O — CID 134980198

IUPAC[(1R,5S,6S)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]methanol
SMILESCC1(C)C=C[C@]2(C)[C@@H](CO)C[C@H]12
InChIInChI=1S/C11H18O/c1-10(2)4-5-11(3)8(7-12)6-9(10)11/h4-5,8-9,12H,6-7H2,1-3H3/t8-,9-,11-/m1/s1
InChIKeyRXCNQKZHRYVULS-FXPVBKGRSA-N
MW166.26 g/mol
LogP2.22
Rot. Bonds1

About [(1R,5S,6S)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]methanol

[(1R,5S,6S)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]methanol (PubChem CID 134980198) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is [(1R,5S,6S)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]methanol.

Molecular Properties

Compound Name[(1R,5S,6S)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]methanol
PubChem CID134980198
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name[(1R,5S,6S)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]methanol
SMILESCC1(C)C=C[C@]2(C)[C@@H](CO)C[C@H]12
InChIInChI=1S/C11H18O/c1-10(2)4-5-11(3)8(7-12)6-9(10)11/h4-5,8-9,12H,6-7H2,1-3H3/t8-,9-,11-/m1/s1
InChIKeyRXCNQKZHRYVULS-FXPVBKGRSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(1R,5S,6S)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]methanol with MolForge

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Related Compounds

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CID 166220
3-Cyclopentene-1-butanol, beta,2,2,3-tetramethyl-delta-methylene-
CID 16063533
[(1S,3aS,4R,8S,8aR)-8-ethyl-1,4-dimethyl-3a,5,6,7,8,8a-hexahydro-1H-azulen-4-yl]methanol
CID 46703006
2,2,3-Trimethyl-beta-propylcyclopent-3-ene-1-butanol
CID 21149566
(2S)-2-methyl-4-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]butan-1-ol
CID 1747973
2-Methyl-4-(2,2-dimethylcyclopent-3-enyl)butanol
CID 73799148
2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-1-ol
CID 53758717
Pinene-ethanol
CID 129864765
(1R,5S,6R)-2,2,5-trimethylbicyclo[3.2.0]hept-3-en-6-ol
CID 15143873
3-Pinene-ethanol
CID 129775666
2-Propenyl-1-methyl-cyclobutaneethanol
CID 129866297
1-[(1R,5S,6R)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanol
CID 134980292

Frequently Asked Questions

What is the IUPAC name of [(1R,5S,6S)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]methanol?
The IUPAC name of [(1R,5S,6S)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]methanol (CID 134980198) is [(1R,5S,6S)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]methanol.
What is the SMILES notation for [(1R,5S,6S)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]methanol?
The canonical SMILES for [(1R,5S,6S)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]methanol is CC1(C)C=C[C@]2(C)[C@@H](CO)C[C@H]12.
What is the InChIKey of [(1R,5S,6S)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]methanol?
The InChIKey is RXCNQKZHRYVULS-FXPVBKGRSA-N. The full InChI is InChI=1S/C11H18O/c1-10(2)4-5-11(3)8(7-12)6-9(10)11/h4-5,8-9,12H,6-7H2,1-3H3/t8-,9-,11-/m1/s1.
What are the key properties of [(1R,5S,6S)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]methanol?
[(1R,5S,6S)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]methanol has a molecular weight of 166.26 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S,6S)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]methanol is sourced from PubChem (CID 134980198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).