3-(4-prop-1-en-2-ylcyclohexen-1-yl)propan-1-ol

C12H20O — CID 15222644

IUPAC3-(4-prop-1-en-2-ylcyclohexen-1-yl)propan-1-ol
SMILESC=C(C)C1CC=C(CCCO)CC1
InChIInChI=1S/C12H20O/c1-10(2)12-7-5-11(6-8-12)4-3-9-13/h5,12-13H,1,3-4,6-9H2,2H3
InChIKeyBTOISVNYYSXOPB-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.06
Rot. Bonds4

About 3-(4-prop-1-en-2-ylcyclohexen-1-yl)propan-1-ol

3-(4-prop-1-en-2-ylcyclohexen-1-yl)propan-1-ol (PubChem CID 15222644) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-(4-prop-1-en-2-ylcyclohexen-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-prop-1-en-2-ylcyclohexen-1-yl)propan-1-ol
PubChem CID15222644
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name3-(4-prop-1-en-2-ylcyclohexen-1-yl)propan-1-ol
SMILESC=C(C)C1CC=C(CCCO)CC1
InChIInChI=1S/C12H20O/c1-10(2)12-7-5-11(6-8-12)4-3-9-13/h5,12-13H,1,3-4,6-9H2,2H3
InChIKeyBTOISVNYYSXOPB-UHFFFAOYSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.06
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 3-(4-prop-1-en-2-ylcyclohexen-1-yl)propan-1-ol?
The IUPAC name of 3-(4-prop-1-en-2-ylcyclohexen-1-yl)propan-1-ol (CID 15222644) is 3-(4-prop-1-en-2-ylcyclohexen-1-yl)propan-1-ol.
What is the SMILES notation for 3-(4-prop-1-en-2-ylcyclohexen-1-yl)propan-1-ol?
The canonical SMILES for 3-(4-prop-1-en-2-ylcyclohexen-1-yl)propan-1-ol is C=C(C)C1CC=C(CCCO)CC1.
What is the InChIKey of 3-(4-prop-1-en-2-ylcyclohexen-1-yl)propan-1-ol?
The InChIKey is BTOISVNYYSXOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-10(2)12-7-5-11(6-8-12)4-3-9-13/h5,12-13H,1,3-4,6-9H2,2H3.
What are the key properties of 3-(4-prop-1-en-2-ylcyclohexen-1-yl)propan-1-ol?
3-(4-prop-1-en-2-ylcyclohexen-1-yl)propan-1-ol has a molecular weight of 180.29 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-prop-1-en-2-ylcyclohexen-1-yl)propan-1-ol is sourced from PubChem (CID 15222644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).