(6-methyl-6-bicyclo[3.1.0]hexanyl)methanol

C8H14O — CID 75109427

IUPAC(6-methyl-6-bicyclo[3.1.0]hexanyl)methanol
SMILESCC1(CO)C2CCCC21
InChIInChI=1S/C8H14O/c1-8(5-9)6-3-2-4-7(6)8/h6-7,9H,2-5H2,1H3
InChIKeyKRNXOJAGFGWKRV-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.41
Rot. Bonds1

About (6-methyl-6-bicyclo[3.1.0]hexanyl)methanol

(6-methyl-6-bicyclo[3.1.0]hexanyl)methanol (PubChem CID 75109427) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (6-methyl-6-bicyclo[3.1.0]hexanyl)methanol.

Molecular Properties

Compound Name(6-methyl-6-bicyclo[3.1.0]hexanyl)methanol
PubChem CID75109427
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(6-methyl-6-bicyclo[3.1.0]hexanyl)methanol
SMILESCC1(CO)C2CCCC21
InChIInChI=1S/C8H14O/c1-8(5-9)6-3-2-4-7(6)8/h6-7,9H,2-5H2,1H3
InChIKeyKRNXOJAGFGWKRV-UHFFFAOYSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-6-bicyclo[3.1.0]hexanyl)methanol?
The IUPAC name of (6-methyl-6-bicyclo[3.1.0]hexanyl)methanol (CID 75109427) is (6-methyl-6-bicyclo[3.1.0]hexanyl)methanol.
What is the SMILES notation for (6-methyl-6-bicyclo[3.1.0]hexanyl)methanol?
The canonical SMILES for (6-methyl-6-bicyclo[3.1.0]hexanyl)methanol is CC1(CO)C2CCCC21.
What is the InChIKey of (6-methyl-6-bicyclo[3.1.0]hexanyl)methanol?
The InChIKey is KRNXOJAGFGWKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-8(5-9)6-3-2-4-7(6)8/h6-7,9H,2-5H2,1H3.
What are the key properties of (6-methyl-6-bicyclo[3.1.0]hexanyl)methanol?
(6-methyl-6-bicyclo[3.1.0]hexanyl)methanol has a molecular weight of 126.20 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-6-bicyclo[3.1.0]hexanyl)methanol is sourced from PubChem (CID 75109427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).