(2E)-2-(3,3-dimethylcyclohexylidene)ethanol

C10H18O — CID 6449789

IUPAC(2E)-2-(3,3-dimethylcyclohexylidene)ethanol
SMILESCC1(C)CCC/C(=C\CO)C1
InChIInChI=1S/C10H18O/c1-10(2)6-3-4-9(8-10)5-7-11/h5,11H,3-4,6-8H2,1-2H3/b9-5+
InChIKeySHYLMMBHTKLAJS-WEVVVXLNSA-N
MW154.25 g/mol
LogP2.51
Rot. Bonds1

About (2E)-2-(3,3-dimethylcyclohexylidene)ethanol

(2E)-2-(3,3-dimethylcyclohexylidene)ethanol (PubChem CID 6449789) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (2E)-2-(3,3-dimethylcyclohexylidene)ethanol.

Molecular Properties

Compound Name(2E)-2-(3,3-dimethylcyclohexylidene)ethanol
PubChem CID6449789
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(2E)-2-(3,3-dimethylcyclohexylidene)ethanol
SMILESCC1(C)CCC/C(=C\CO)C1
InChIInChI=1S/C10H18O/c1-10(2)6-3-4-9(8-10)5-7-11/h5,11H,3-4,6-8H2,1-2H3/b9-5+
InChIKeySHYLMMBHTKLAJS-WEVVVXLNSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.51
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 (2E)-2-(3,3-dimethylcyclohexylidene)ethanol?
The IUPAC name of (2E)-2-(3,3-dimethylcyclohexylidene)ethanol (CID 6449789) is (2E)-2-(3,3-dimethylcyclohexylidene)ethanol.
What is the SMILES notation for (2E)-2-(3,3-dimethylcyclohexylidene)ethanol?
The canonical SMILES for (2E)-2-(3,3-dimethylcyclohexylidene)ethanol is CC1(C)CCC/C(=C\CO)C1.
What is the InChIKey of (2E)-2-(3,3-dimethylcyclohexylidene)ethanol?
The InChIKey is SHYLMMBHTKLAJS-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H18O/c1-10(2)6-3-4-9(8-10)5-7-11/h5,11H,3-4,6-8H2,1-2H3/b9-5+.
What are the key properties of (2E)-2-(3,3-dimethylcyclohexylidene)ethanol?
(2E)-2-(3,3-dimethylcyclohexylidene)ethanol has a molecular weight of 154.25 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(3,3-dimethylcyclohexylidene)ethanol is sourced from PubChem (CID 6449789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).