2-[(5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanol

C11H18O — CID 18334282

IUPAC2-[(5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanol
SMILESCC1(C)C2C[C@H]1CC=C2CCO
InChIInChI=1S/C11H18O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h3,9-10,12H,4-7H2,1-2H3/t9-,10?/m1/s1
InChIKeyROKSAUSPJGWCSM-YHMJZVADSA-N
MW166.26 g/mol
LogP2.36
Rot. Bonds2

About 2-[(5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanol

2-[(5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanol (PubChem CID 18334282) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-[(5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanol.

Molecular Properties

Compound Name2-[(5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanol
PubChem CID18334282
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-[(5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanol
SMILESCC1(C)C2C[C@H]1CC=C2CCO
InChIInChI=1S/C11H18O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h3,9-10,12H,4-7H2,1-2H3/t9-,10?/m1/s1
InChIKeyROKSAUSPJGWCSM-YHMJZVADSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[(5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanol?
The IUPAC name of 2-[(5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanol (CID 18334282) is 2-[(5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanol.
What is the SMILES notation for 2-[(5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanol?
The canonical SMILES for 2-[(5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanol is CC1(C)C2C[C@H]1CC=C2CCO.
What is the InChIKey of 2-[(5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanol?
The InChIKey is ROKSAUSPJGWCSM-YHMJZVADSA-N. The full InChI is InChI=1S/C11H18O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h3,9-10,12H,4-7H2,1-2H3/t9-,10?/m1/s1.
What are the key properties of 2-[(5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanol?
2-[(5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanol has a molecular weight of 166.26 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanol is sourced from PubChem (CID 18334282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).