(4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol

C11H20O — CID 89004722

IUPAC(4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol
SMILESCCC1=CC(C)C(CO)C(C)C1
InChIInChI=1S/C11H20O/c1-4-10-5-8(2)11(7-12)9(3)6-10/h5,8-9,11-12H,4,6-7H2,1-3H3
InChIKeyQGZKPUQXJQBYQU-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.61
Rot. Bonds2

About (4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol

(4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol (PubChem CID 89004722) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol.

Molecular Properties

Compound Name(4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol
PubChem CID89004722
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol
SMILESCCC1=CC(C)C(CO)C(C)C1
InChIInChI=1S/C11H20O/c1-4-10-5-8(2)11(7-12)9(3)6-10/h5,8-9,11-12H,4,6-7H2,1-3H3
InChIKeyQGZKPUQXJQBYQU-UHFFFAOYSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.61
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 (4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol?
The IUPAC name of (4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol (CID 89004722) is (4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol.
What is the SMILES notation for (4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol?
The canonical SMILES for (4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol is CCC1=CC(C)C(CO)C(C)C1.
What is the InChIKey of (4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol?
The InChIKey is QGZKPUQXJQBYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-10-5-8(2)11(7-12)9(3)6-10/h5,8-9,11-12H,4,6-7H2,1-3H3.
What are the key properties of (4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol?
(4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol has a molecular weight of 168.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2,6-dimethylcyclohex-3-en-1-yl)methanol is sourced from PubChem (CID 89004722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).