6-bicyclo[3.1.0]hexanyl-(2-ethylcyclohexyl)methanol

C15H26O — CID 115801700

IUPAC6-bicyclo[3.1.0]hexanyl-(2-ethylcyclohexyl)methanol
SMILESCCC1CCCCC1C(O)C1C2CCCC21
InChIInChI=1S/C15H26O/c1-2-10-6-3-4-7-11(10)15(16)14-12-8-5-9-13(12)14/h10-16H,2-9H2,1H3
InChIKeyXKZHBSWHLBBPHO-UHFFFAOYSA-N
MW222.37 g/mol
LogP3.61
Rot. Bonds3

About 6-bicyclo[3.1.0]hexanyl-(2-ethylcyclohexyl)methanol

6-bicyclo[3.1.0]hexanyl-(2-ethylcyclohexyl)methanol (PubChem CID 115801700) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl-(2-ethylcyclohexyl)methanol.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl-(2-ethylcyclohexyl)methanol
PubChem CID115801700
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name6-bicyclo[3.1.0]hexanyl-(2-ethylcyclohexyl)methanol
SMILESCCC1CCCCC1C(O)C1C2CCCC21
InChIInChI=1S/C15H26O/c1-2-10-6-3-4-7-11(10)15(16)14-12-8-5-9-13(12)14/h10-16H,2-9H2,1H3
InChIKeyXKZHBSWHLBBPHO-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl-(2-ethylcyclohexyl)methanol?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl-(2-ethylcyclohexyl)methanol (CID 115801700) is 6-bicyclo[3.1.0]hexanyl-(2-ethylcyclohexyl)methanol.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl-(2-ethylcyclohexyl)methanol?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl-(2-ethylcyclohexyl)methanol is CCC1CCCCC1C(O)C1C2CCCC21.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl-(2-ethylcyclohexyl)methanol?
The InChIKey is XKZHBSWHLBBPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-2-10-6-3-4-7-11(10)15(16)14-12-8-5-9-13(12)14/h10-16H,2-9H2,1H3.
What are the key properties of 6-bicyclo[3.1.0]hexanyl-(2-ethylcyclohexyl)methanol?
6-bicyclo[3.1.0]hexanyl-(2-ethylcyclohexyl)methanol has a molecular weight of 222.37 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl-(2-ethylcyclohexyl)methanol is sourced from PubChem (CID 115801700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).