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

C8H14O3 — CID 131236900

IUPAC(E,2S)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol
SMILESC[C@H](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+/t7-/m0/s1
InChIKeyAXSPZHHUTIPZMO-AIYRYJHASA-N
MW158.20 g/mol
LogP0.69
Rot. Bonds3

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

(E,2S)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol (PubChem CID 131236900) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (E,2S)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol.

Molecular Properties

Compound Name(E,2S)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol
PubChem CID131236900
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(E,2S)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol
SMILESC[C@H](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+/t7-/m0/s1
InChIKeyAXSPZHHUTIPZMO-AIYRYJHASA-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'}

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Frequently Asked Questions

What is the IUPAC name of (E,2S)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol?
The IUPAC name of (E,2S)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol (CID 131236900) is (E,2S)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol.
What is the SMILES notation for (E,2S)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol?
The canonical SMILES for (E,2S)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol is C[C@H](O)/C=C/CC1OCCO1.
What is the InChIKey of (E,2S)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol?
The InChIKey is AXSPZHHUTIPZMO-AIYRYJHASA-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+/t7-/m0/s1.
What are the key properties of (E,2S)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol?
(E,2S)-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,2S)-5-(1,3-dioxolan-2-yl)pent-3-en-2-ol is sourced from PubChem (CID 131236900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).