1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanol

C11H20O — CID 67403517

IUPAC1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanol
SMILESCC(O)C1CC2CC2(C)C1(C)C
InChIInChI=1S/C11H20O/c1-7(12)9-5-8-6-11(8,4)10(9,2)3/h7-9,12H,5-6H2,1-4H3
InChIKeyRLHZQFIKXSZZJV-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.44
Rot. Bonds1

About 1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanol

1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanol (PubChem CID 67403517) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanol.

Molecular Properties

Compound Name1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanol
PubChem CID67403517
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanol
SMILESCC(O)C1CC2CC2(C)C1(C)C
InChIInChI=1S/C11H20O/c1-7(12)9-5-8-6-11(8,4)10(9,2)3/h7-9,12H,5-6H2,1-4H3
InChIKeyRLHZQFIKXSZZJV-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanol?
The IUPAC name of 1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanol (CID 67403517) is 1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanol.
What is the SMILES notation for 1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanol?
The canonical SMILES for 1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanol is CC(O)C1CC2CC2(C)C1(C)C.
What is the InChIKey of 1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanol?
The InChIKey is RLHZQFIKXSZZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-7(12)9-5-8-6-11(8,4)10(9,2)3/h7-9,12H,5-6H2,1-4H3.
What are the key properties of 1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanol?
1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanol has a molecular weight of 168.28 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanol is sourced from PubChem (CID 67403517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).