4-butyl-1-[2-(1,3-dioxol-2-yl)ethenyl]cyclohexan-1-ol

C15H24O3 — CID 171483654

IUPAC4-butyl-1-[2-(1,3-dioxol-2-yl)ethenyl]cyclohexan-1-ol
SMILESCCCCC1CCC(O)(C=CC2OC=CO2)CC1
InChIInChI=1S/C15H24O3/c1-2-3-4-13-5-8-15(16,9-6-13)10-7-14-17-11-12-18-14/h7,10-14,16H,2-6,8-9H2,1H3
InChIKeyLGCBUHFZNHYYEV-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.50
Rot. Bonds5

About 4-butyl-1-[2-(1,3-dioxol-2-yl)ethenyl]cyclohexan-1-ol

4-butyl-1-[2-(1,3-dioxol-2-yl)ethenyl]cyclohexan-1-ol (PubChem CID 171483654) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 4-butyl-1-[2-(1,3-dioxol-2-yl)ethenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-butyl-1-[2-(1,3-dioxol-2-yl)ethenyl]cyclohexan-1-ol
PubChem CID171483654
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name4-butyl-1-[2-(1,3-dioxol-2-yl)ethenyl]cyclohexan-1-ol
SMILESCCCCC1CCC(O)(C=CC2OC=CO2)CC1
InChIInChI=1S/C15H24O3/c1-2-3-4-13-5-8-15(16,9-6-13)10-7-14-17-11-12-18-14/h7,10-14,16H,2-6,8-9H2,1H3
InChIKeyLGCBUHFZNHYYEV-UHFFFAOYSA-N
XLogP3.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.50
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 4-butyl-1-[2-(1,3-dioxol-2-yl)ethenyl]cyclohexan-1-ol?
The IUPAC name of 4-butyl-1-[2-(1,3-dioxol-2-yl)ethenyl]cyclohexan-1-ol (CID 171483654) is 4-butyl-1-[2-(1,3-dioxol-2-yl)ethenyl]cyclohexan-1-ol.
What is the SMILES notation for 4-butyl-1-[2-(1,3-dioxol-2-yl)ethenyl]cyclohexan-1-ol?
The canonical SMILES for 4-butyl-1-[2-(1,3-dioxol-2-yl)ethenyl]cyclohexan-1-ol is CCCCC1CCC(O)(C=CC2OC=CO2)CC1.
What is the InChIKey of 4-butyl-1-[2-(1,3-dioxol-2-yl)ethenyl]cyclohexan-1-ol?
The InChIKey is LGCBUHFZNHYYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-2-3-4-13-5-8-15(16,9-6-13)10-7-14-17-11-12-18-14/h7,10-14,16H,2-6,8-9H2,1H3.
What are the key properties of 4-butyl-1-[2-(1,3-dioxol-2-yl)ethenyl]cyclohexan-1-ol?
4-butyl-1-[2-(1,3-dioxol-2-yl)ethenyl]cyclohexan-1-ol has a molecular weight of 252.35 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-[2-(1,3-dioxol-2-yl)ethenyl]cyclohexan-1-ol is sourced from PubChem (CID 171483654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).