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

C12H20O — CID 134980292

IUPAC1-[(1R,5S,6R)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanol
SMILESCC(O)[C@@H]1C[C@@H]2C(C)(C)C=C[C@@]21C
InChIInChI=1S/C12H20O/c1-8(13)9-7-10-11(2,3)5-6-12(9,10)4/h5-6,8-10,13H,7H2,1-4H3/t8?,9-,10+,12+/m0/s1
InChIKeyWWBCQRSUTZPGJA-CATGTTOSSA-N
MW180.29 g/mol
LogP2.61
Rot. Bonds1

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

1-[(1R,5S,6R)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanol (PubChem CID 134980292) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-[(1R,5S,6R)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanol.

Molecular Properties

Compound Name1-[(1R,5S,6R)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanol
PubChem CID134980292
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name1-[(1R,5S,6R)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanol
SMILESCC(O)[C@@H]1C[C@@H]2C(C)(C)C=C[C@@]21C
InChIInChI=1S/C12H20O/c1-8(13)9-7-10-11(2,3)5-6-12(9,10)4/h5-6,8-10,13H,7H2,1-4H3/t8?,9-,10+,12+/m0/s1
InChIKeyWWBCQRSUTZPGJA-CATGTTOSSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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

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Related Compounds

Sandalore
CID 103212
3-Methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)butan-2-ol
CID 121232761
2-Methyl-4-(2,2-dimethylcyclopent-3-enyl)butanol
CID 73799148
Bicyclo[3.2.0]hept-2-en-6-ol
CID 10866282
3-Methyl-5-(2,2,4-trimethylcyclopent-3-en-1-yl)pentan-2-ol
CID 13828002
1-(2,2,3-Trimethylcyclopent-3-en-1-yl)propan-2-ol
CID 15219079
Endo-bicyclo(3,2,0)hept-2-en-6-ol
CID 11116010
(1S,5R,6S)-bicyclo[3.2.0]hept-2-en-6-ol
CID 12648742
(1R,5S,6R)-2,2,5-trimethylbicyclo[3.2.0]hept-3-en-6-ol
CID 15143873
2,6,6-Trimethylcyclohept-3-enol
CID 85790618
1-(2-Bicyclo[3.2.0]hept-3-enyl)ethanol
CID 90917161
3-Pinene-ethanol
CID 129775666

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S,6R)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanol?
The IUPAC name of 1-[(1R,5S,6R)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanol (CID 134980292) is 1-[(1R,5S,6R)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanol.
What is the SMILES notation for 1-[(1R,5S,6R)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanol?
The canonical SMILES for 1-[(1R,5S,6R)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanol is CC(O)[C@@H]1C[C@@H]2C(C)(C)C=C[C@@]21C.
What is the InChIKey of 1-[(1R,5S,6R)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanol?
The InChIKey is WWBCQRSUTZPGJA-CATGTTOSSA-N. The full InChI is InChI=1S/C12H20O/c1-8(13)9-7-10-11(2,3)5-6-12(9,10)4/h5-6,8-10,13H,7H2,1-4H3/t8?,9-,10+,12+/m0/s1.
What are the key properties of 1-[(1R,5S,6R)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanol?
1-[(1R,5S,6R)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanol has a molecular weight of 180.29 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5S,6R)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanol is sourced from PubChem (CID 134980292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).