(E)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol

C8H14O3 — CID 130142829

IUPAC(E)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol
SMILESCC(O)/C=C/CC1OCCO1
InChIInChI=1S/C8H14O3/c1-7(9)3-2-4-8-10-5-6-11-8/h2-3,7-9H,4-6H2,1H3/b3-2+
InChIKeyAXSPZHHUTIPZMO-NSCUHMNNSA-N
MW158.20 g/mol
LogP0.69
Rot. Bonds3

About (E)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol

(E)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol (PubChem CID 130142829) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (E)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol.

Molecular Properties

Compound Name(E)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol
PubChem CID130142829
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(E)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol
SMILESCC(O)/C=C/CC1OCCO1
InChIInChI=1S/C8H14O3/c1-7(9)3-2-4-8-10-5-6-11-8/h2-3,7-9H,4-6H2,1H3/b3-2+
InChIKeyAXSPZHHUTIPZMO-NSCUHMNNSA-N
XLogP0.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E,2S)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol
CID 131236900
(E)-4-(1,3-dioxolan-2-yl)but-2-enal
CID 11367047
2-[(E)-3-cyclopentylprop-2-enyl]-1,3-dioxolane
CID 90425466
5-aminopent-3-en-2-ol
CID 90709459
2-prop-2-enyl-(213C)1,3-dioxolane
CID 173279538
2-(2-methylpropyl)-1,3-dioxane;2-(2-methylpropyl)-1,3-dioxolane
CID 157085874
(2S)-1-(1,3-dioxan-2-yl)propan-2-ol
CID 14290520
2-(4-hydroxypent-2-enyl)cyclohexan-1-one
CID 175419455
2-[2-(iodomethyl)-3-methylbutyl]-1,3-dioxolane
CID 20634644
4-(1,3-dioxolan-2-yl)-2,3-dimethylbutan-1-amine
CID 70442959
(E)-5-(dimethylamino)pent-3-en-2-ol
CID 130122470
2-(2,2-dimethoxyethyl)-1,3-dioxolane
CID 14470922

Frequently Asked Questions

What is the IUPAC name of (E)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol?
The IUPAC name of (E)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol (CID 130142829) is (E)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol.
What is the SMILES notation for (E)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol?
The canonical SMILES for (E)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol is CC(O)/C=C/CC1OCCO1.
What is the InChIKey of (E)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol?
The InChIKey is AXSPZHHUTIPZMO-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H14O3/c1-7(9)3-2-4-8-10-5-6-11-8/h2-3,7-9H,4-6H2,1H3/b3-2+.
What are the key properties of (E)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol?
(E)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol has a molecular weight of 158.20 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol is sourced from PubChem (CID 130142829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).