2-cyclopropyl-1-(3,5-dimethylcyclohex-3-en-1-yl)ethanol

C13H22O — CID 103277720

IUPAC2-cyclopropyl-1-(3,5-dimethylcyclohex-3-en-1-yl)ethanol
SMILESCC1=CC(C)CC(C(O)CC2CC2)C1
InChIInChI=1S/C13H22O/c1-9-5-10(2)7-12(6-9)13(14)8-11-3-4-11/h5,9,11-14H,3-4,6-8H2,1-2H3
InChIKeyIGQXLECAUQUUID-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.14
Rot. Bonds3

About 2-cyclopropyl-1-(3,5-dimethylcyclohex-3-en-1-yl)ethanol

2-cyclopropyl-1-(3,5-dimethylcyclohex-3-en-1-yl)ethanol (PubChem CID 103277720) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3,5-dimethylcyclohex-3-en-1-yl)ethanol.

Molecular Properties

Compound Name2-cyclopropyl-1-(3,5-dimethylcyclohex-3-en-1-yl)ethanol
PubChem CID103277720
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2-cyclopropyl-1-(3,5-dimethylcyclohex-3-en-1-yl)ethanol
SMILESCC1=CC(C)CC(C(O)CC2CC2)C1
InChIInChI=1S/C13H22O/c1-9-5-10(2)7-12(6-9)13(14)8-11-3-4-11/h5,9,11-14H,3-4,6-8H2,1-2H3
InChIKeyIGQXLECAUQUUID-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-ol
CID 103277877
1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 103277705
1-(3,5-dimethylcyclohex-3-en-1-yl)pentan-1-ol
CID 103277568
1-(3,5-dimethylcyclohex-3-en-1-yl)but-3-yn-1-ol
CID 103277637
1-(3,5-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-ol
CID 103277645
1-(3,5-dimethylcyclohex-3-en-1-yl)-2-thiophen-3-ylethanol
CID 103277384
1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 103277497
1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 103277576
(3,5-dimethylcyclohex-3-en-1-yl)-(furan-3-yl)methanol
CID 103277555
3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol
CID 106121040
(3,5-dimethylcyclohex-3-en-1-yl)methanamine
CID 103275915
1-cyclobutyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]methanamine
CID 103276186

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3,5-dimethylcyclohex-3-en-1-yl)ethanol?
The IUPAC name of 2-cyclopropyl-1-(3,5-dimethylcyclohex-3-en-1-yl)ethanol (CID 103277720) is 2-cyclopropyl-1-(3,5-dimethylcyclohex-3-en-1-yl)ethanol.
What is the SMILES notation for 2-cyclopropyl-1-(3,5-dimethylcyclohex-3-en-1-yl)ethanol?
The canonical SMILES for 2-cyclopropyl-1-(3,5-dimethylcyclohex-3-en-1-yl)ethanol is CC1=CC(C)CC(C(O)CC2CC2)C1.
What is the InChIKey of 2-cyclopropyl-1-(3,5-dimethylcyclohex-3-en-1-yl)ethanol?
The InChIKey is IGQXLECAUQUUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-9-5-10(2)7-12(6-9)13(14)8-11-3-4-11/h5,9,11-14H,3-4,6-8H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(3,5-dimethylcyclohex-3-en-1-yl)ethanol?
2-cyclopropyl-1-(3,5-dimethylcyclohex-3-en-1-yl)ethanol has a molecular weight of 194.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3,5-dimethylcyclohex-3-en-1-yl)ethanol is sourced from PubChem (CID 103277720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).