2-cyclohex-3-en-1-yl-1-(1-methylcyclopropyl)ethanol

C12H20O — CID 164648237

IUPAC2-cyclohex-3-en-1-yl-1-(1-methylcyclopropyl)ethanol
SMILESCC1(C(O)CC2CC=CCC2)CC1
InChIInChI=1S/C12H20O/c1-12(7-8-12)11(13)9-10-5-3-2-4-6-10/h2-3,10-11,13H,4-9H2,1H3
InChIKeyQCYXNIZWEFJFJY-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.89
Rot. Bonds3

About 2-cyclohex-3-en-1-yl-1-(1-methylcyclopropyl)ethanol

2-cyclohex-3-en-1-yl-1-(1-methylcyclopropyl)ethanol (PubChem CID 164648237) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-1-(1-methylcyclopropyl)ethanol.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-1-(1-methylcyclopropyl)ethanol
PubChem CID164648237
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-cyclohex-3-en-1-yl-1-(1-methylcyclopropyl)ethanol
SMILESCC1(C(O)CC2CC=CCC2)CC1
InChIInChI=1S/C12H20O/c1-12(7-8-12)11(13)9-10-5-3-2-4-6-10/h2-3,10-11,13H,4-9H2,1H3
InChIKeyQCYXNIZWEFJFJY-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.89
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 2-cyclohex-3-en-1-yl-1-(1-methylcyclopropyl)ethanol?
The IUPAC name of 2-cyclohex-3-en-1-yl-1-(1-methylcyclopropyl)ethanol (CID 164648237) is 2-cyclohex-3-en-1-yl-1-(1-methylcyclopropyl)ethanol.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-1-(1-methylcyclopropyl)ethanol?
The canonical SMILES for 2-cyclohex-3-en-1-yl-1-(1-methylcyclopropyl)ethanol is CC1(C(O)CC2CC=CCC2)CC1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-1-(1-methylcyclopropyl)ethanol?
The InChIKey is QCYXNIZWEFJFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-12(7-8-12)11(13)9-10-5-3-2-4-6-10/h2-3,10-11,13H,4-9H2,1H3.
What are the key properties of 2-cyclohex-3-en-1-yl-1-(1-methylcyclopropyl)ethanol?
2-cyclohex-3-en-1-yl-1-(1-methylcyclopropyl)ethanol has a molecular weight of 180.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-1-(1-methylcyclopropyl)ethanol is sourced from PubChem (CID 164648237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).