3-prop-2-enylpentane-1,5-diol

C8H16O2 — CID 87074897

IUPAC3-prop-2-enylpentane-1,5-diol
SMILESC=CCC(CCO)CCO
InChIInChI=1S/C8H16O2/c1-2-3-8(4-6-9)5-7-10/h2,8-10H,1,3-7H2
InChIKeyUEIQWZUUMGWXCJ-UHFFFAOYSA-N
MW144.21 g/mol
LogP0.94
Rot. Bonds6

About 3-prop-2-enylpentane-1,5-diol

3-prop-2-enylpentane-1,5-diol (PubChem CID 87074897) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-prop-2-enylpentane-1,5-diol.

Molecular Properties

Compound Name3-prop-2-enylpentane-1,5-diol
PubChem CID87074897
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-prop-2-enylpentane-1,5-diol
SMILESC=CCC(CCO)CCO
InChIInChI=1S/C8H16O2/c1-2-3-8(4-6-9)5-7-10/h2,8-10H,1,3-7H2
InChIKeyUEIQWZUUMGWXCJ-UHFFFAOYSA-N
XLogP0.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-prop-2-enylpentane-1,5-diol?
The IUPAC name of 3-prop-2-enylpentane-1,5-diol (CID 87074897) is 3-prop-2-enylpentane-1,5-diol.
What is the SMILES notation for 3-prop-2-enylpentane-1,5-diol?
The canonical SMILES for 3-prop-2-enylpentane-1,5-diol is C=CCC(CCO)CCO.
What is the InChIKey of 3-prop-2-enylpentane-1,5-diol?
The InChIKey is UEIQWZUUMGWXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-2-3-8(4-6-9)5-7-10/h2,8-10H,1,3-7H2.
What are the key properties of 3-prop-2-enylpentane-1,5-diol?
3-prop-2-enylpentane-1,5-diol has a molecular weight of 144.21 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylpentane-1,5-diol is sourced from PubChem (CID 87074897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).