1-[2-(1,3-dioxol-2-yl)ethenyl]-3-propan-2-ylcyclohexan-1-ol

C14H22O3 — CID 171483683

IUPAC1-[2-(1,3-dioxol-2-yl)ethenyl]-3-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCCC(O)(C=CC2OC=CO2)C1
InChIInChI=1S/C14H22O3/c1-11(2)12-4-3-6-14(15,10-12)7-5-13-16-8-9-17-13/h5,7-9,11-13,15H,3-4,6,10H2,1-2H3
InChIKeyFIDCGWLYBYFPFV-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.96
Rot. Bonds3

About 1-[2-(1,3-dioxol-2-yl)ethenyl]-3-propan-2-ylcyclohexan-1-ol

1-[2-(1,3-dioxol-2-yl)ethenyl]-3-propan-2-ylcyclohexan-1-ol (PubChem CID 171483683) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[2-(1,3-dioxol-2-yl)ethenyl]-3-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(1,3-dioxol-2-yl)ethenyl]-3-propan-2-ylcyclohexan-1-ol
PubChem CID171483683
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-[2-(1,3-dioxol-2-yl)ethenyl]-3-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCCC(O)(C=CC2OC=CO2)C1
InChIInChI=1S/C14H22O3/c1-11(2)12-4-3-6-14(15,10-12)7-5-13-16-8-9-17-13/h5,7-9,11-13,15H,3-4,6,10H2,1-2H3
InChIKeyFIDCGWLYBYFPFV-UHFFFAOYSA-N
XLogP2.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-(1,3-dioxol-2-yl)ethenyl]-3-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-[2-(1,3-dioxol-2-yl)ethenyl]-3-propan-2-ylcyclohexan-1-ol (CID 171483683) is 1-[2-(1,3-dioxol-2-yl)ethenyl]-3-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-[2-(1,3-dioxol-2-yl)ethenyl]-3-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-[2-(1,3-dioxol-2-yl)ethenyl]-3-propan-2-ylcyclohexan-1-ol is CC(C)C1CCCC(O)(C=CC2OC=CO2)C1.
What is the InChIKey of 1-[2-(1,3-dioxol-2-yl)ethenyl]-3-propan-2-ylcyclohexan-1-ol?
The InChIKey is FIDCGWLYBYFPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-11(2)12-4-3-6-14(15,10-12)7-5-13-16-8-9-17-13/h5,7-9,11-13,15H,3-4,6,10H2,1-2H3.
What are the key properties of 1-[2-(1,3-dioxol-2-yl)ethenyl]-3-propan-2-ylcyclohexan-1-ol?
1-[2-(1,3-dioxol-2-yl)ethenyl]-3-propan-2-ylcyclohexan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxol-2-yl)ethenyl]-3-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 171483683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).