1-[1-(1-hydroxyprop-2-enyl)cyclohexyl]prop-2-en-1-ol

C12H20O2 — CID 57165593

IUPAC1-[1-(1-hydroxyprop-2-enyl)cyclohexyl]prop-2-en-1-ol
SMILESC=CC(O)C1(C(O)C=C)CCCCC1
InChIInChI=1S/C12H20O2/c1-3-10(13)12(11(14)4-2)8-6-5-7-9-12/h3-4,10-11,13-14H,1-2,5-9H2
InChIKeyNEVHCEDGXWDGFK-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.03
Rot. Bonds4

About 1-[1-(1-hydroxyprop-2-enyl)cyclohexyl]prop-2-en-1-ol

1-[1-(1-hydroxyprop-2-enyl)cyclohexyl]prop-2-en-1-ol (PubChem CID 57165593) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[1-(1-hydroxyprop-2-enyl)cyclohexyl]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[1-(1-hydroxyprop-2-enyl)cyclohexyl]prop-2-en-1-ol
PubChem CID57165593
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-[1-(1-hydroxyprop-2-enyl)cyclohexyl]prop-2-en-1-ol
SMILESC=CC(O)C1(C(O)C=C)CCCCC1
InChIInChI=1S/C12H20O2/c1-3-10(13)12(11(14)4-2)8-6-5-7-9-12/h3-4,10-11,13-14H,1-2,5-9H2
InChIKeyNEVHCEDGXWDGFK-UHFFFAOYSA-N
XLogP2.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[1-(1-hydroxyprop-2-enyl)cyclohexyl]prop-2-en-1-ol?
The IUPAC name of 1-[1-(1-hydroxyprop-2-enyl)cyclohexyl]prop-2-en-1-ol (CID 57165593) is 1-[1-(1-hydroxyprop-2-enyl)cyclohexyl]prop-2-en-1-ol.
What is the SMILES notation for 1-[1-(1-hydroxyprop-2-enyl)cyclohexyl]prop-2-en-1-ol?
The canonical SMILES for 1-[1-(1-hydroxyprop-2-enyl)cyclohexyl]prop-2-en-1-ol is C=CC(O)C1(C(O)C=C)CCCCC1.
What is the InChIKey of 1-[1-(1-hydroxyprop-2-enyl)cyclohexyl]prop-2-en-1-ol?
The InChIKey is NEVHCEDGXWDGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-10(13)12(11(14)4-2)8-6-5-7-9-12/h3-4,10-11,13-14H,1-2,5-9H2.
What are the key properties of 1-[1-(1-hydroxyprop-2-enyl)cyclohexyl]prop-2-en-1-ol?
1-[1-(1-hydroxyprop-2-enyl)cyclohexyl]prop-2-en-1-ol has a molecular weight of 196.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-hydroxyprop-2-enyl)cyclohexyl]prop-2-en-1-ol is sourced from PubChem (CID 57165593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).