1-(4-prop-1-en-2-ylcyclohexen-1-yl)ethanol

C11H18O — CID 14116361

IUPAC1-(4-prop-1-en-2-ylcyclohexen-1-yl)ethanol
SMILESC=C(C)C1CC=C(C(C)O)CC1
InChIInChI=1S/C11H18O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h6,9-10,12H,1,4-5,7H2,2-3H3
InChIKeyQMAIRFRHEGKGDA-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.67
Rot. Bonds2

About 1-(4-prop-1-en-2-ylcyclohexen-1-yl)ethanol

1-(4-prop-1-en-2-ylcyclohexen-1-yl)ethanol (PubChem CID 14116361) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 1-(4-prop-1-en-2-ylcyclohexen-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-prop-1-en-2-ylcyclohexen-1-yl)ethanol
PubChem CID14116361
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name1-(4-prop-1-en-2-ylcyclohexen-1-yl)ethanol
SMILESC=C(C)C1CC=C(C(C)O)CC1
InChIInChI=1S/C11H18O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h6,9-10,12H,1,4-5,7H2,2-3H3
InChIKeyQMAIRFRHEGKGDA-UHFFFAOYSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.67
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 1-(4-prop-1-en-2-ylcyclohexen-1-yl)ethanol?
The IUPAC name of 1-(4-prop-1-en-2-ylcyclohexen-1-yl)ethanol (CID 14116361) is 1-(4-prop-1-en-2-ylcyclohexen-1-yl)ethanol.
What is the SMILES notation for 1-(4-prop-1-en-2-ylcyclohexen-1-yl)ethanol?
The canonical SMILES for 1-(4-prop-1-en-2-ylcyclohexen-1-yl)ethanol is C=C(C)C1CC=C(C(C)O)CC1.
What is the InChIKey of 1-(4-prop-1-en-2-ylcyclohexen-1-yl)ethanol?
The InChIKey is QMAIRFRHEGKGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h6,9-10,12H,1,4-5,7H2,2-3H3.
What are the key properties of 1-(4-prop-1-en-2-ylcyclohexen-1-yl)ethanol?
1-(4-prop-1-en-2-ylcyclohexen-1-yl)ethanol has a molecular weight of 166.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-prop-1-en-2-ylcyclohexen-1-yl)ethanol is sourced from PubChem (CID 14116361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).