(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methanol

C11H18O — CID 14335169

IUPAC(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methanol
SMILESCC1=CCC2C(C1CO)C2(C)C
InChIInChI=1S/C11H18O/c1-7-4-5-9-10(8(7)6-12)11(9,2)3/h4,8-10,12H,5-6H2,1-3H3
InChIKeyQNQLBLWLFHHSMS-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.22
Rot. Bonds1

About (3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methanol

(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methanol (PubChem CID 14335169) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methanol.

Molecular Properties

Compound Name(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methanol
PubChem CID14335169
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methanol
SMILESCC1=CCC2C(C1CO)C2(C)C
InChIInChI=1S/C11H18O/c1-7-4-5-9-10(8(7)6-12)11(9,2)3/h4,8-10,12H,5-6H2,1-3H3
InChIKeyQNQLBLWLFHHSMS-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methanol?
The IUPAC name of (3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methanol (CID 14335169) is (3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methanol.
What is the SMILES notation for (3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methanol?
The canonical SMILES for (3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methanol is CC1=CCC2C(C1CO)C2(C)C.
What is the InChIKey of (3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methanol?
The InChIKey is QNQLBLWLFHHSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-7-4-5-9-10(8(7)6-12)11(9,2)3/h4,8-10,12H,5-6H2,1-3H3.
What are the key properties of (3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methanol?
(3,7,7-trimethyl-2-bicyclo[4.1.0]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 (3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methanol is sourced from PubChem (CID 14335169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).