5-[2-(3-hydroxypent-4-enyl)-1,3-dioxolan-2-yl]pent-1-en-3-ol

C13H22O4 — CID 15314581

IUPAC5-[2-(3-hydroxypent-4-enyl)-1,3-dioxolan-2-yl]pent-1-en-3-ol
SMILESC=CC(O)CCC1(CCC(O)C=C)OCCO1
InChIInChI=1S/C13H22O4/c1-3-11(14)5-7-13(16-9-10-17-13)8-6-12(15)4-2/h3-4,11-12,14-15H,1-2,5-10H2
InChIKeyXRNZEGWMAAVOLG-UHFFFAOYSA-N
MW242.31 g/mol
LogP1.38
Rot. Bonds8

About 5-[2-(3-hydroxypent-4-enyl)-1,3-dioxolan-2-yl]pent-1-en-3-ol

5-[2-(3-hydroxypent-4-enyl)-1,3-dioxolan-2-yl]pent-1-en-3-ol (PubChem CID 15314581) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is 5-[2-(3-hydroxypent-4-enyl)-1,3-dioxolan-2-yl]pent-1-en-3-ol.

Molecular Properties

Compound Name5-[2-(3-hydroxypent-4-enyl)-1,3-dioxolan-2-yl]pent-1-en-3-ol
PubChem CID15314581
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name5-[2-(3-hydroxypent-4-enyl)-1,3-dioxolan-2-yl]pent-1-en-3-ol
SMILESC=CC(O)CCC1(CCC(O)C=C)OCCO1
InChIInChI=1S/C13H22O4/c1-3-11(14)5-7-13(16-9-10-17-13)8-6-12(15)4-2/h3-4,11-12,14-15H,1-2,5-10H2
InChIKeyXRNZEGWMAAVOLG-UHFFFAOYSA-N
XLogP1.38
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-[2-(3-hydroxypent-4-enyl)-1,3-dioxolan-2-yl]pent-1-en-3-ol?
The IUPAC name of 5-[2-(3-hydroxypent-4-enyl)-1,3-dioxolan-2-yl]pent-1-en-3-ol (CID 15314581) is 5-[2-(3-hydroxypent-4-enyl)-1,3-dioxolan-2-yl]pent-1-en-3-ol.
What is the SMILES notation for 5-[2-(3-hydroxypent-4-enyl)-1,3-dioxolan-2-yl]pent-1-en-3-ol?
The canonical SMILES for 5-[2-(3-hydroxypent-4-enyl)-1,3-dioxolan-2-yl]pent-1-en-3-ol is C=CC(O)CCC1(CCC(O)C=C)OCCO1.
What is the InChIKey of 5-[2-(3-hydroxypent-4-enyl)-1,3-dioxolan-2-yl]pent-1-en-3-ol?
The InChIKey is XRNZEGWMAAVOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-3-11(14)5-7-13(16-9-10-17-13)8-6-12(15)4-2/h3-4,11-12,14-15H,1-2,5-10H2.
What are the key properties of 5-[2-(3-hydroxypent-4-enyl)-1,3-dioxolan-2-yl]pent-1-en-3-ol?
5-[2-(3-hydroxypent-4-enyl)-1,3-dioxolan-2-yl]pent-1-en-3-ol has a molecular weight of 242.31 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-hydroxypent-4-enyl)-1,3-dioxolan-2-yl]pent-1-en-3-ol is sourced from PubChem (CID 15314581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).