2-prop-2-enylpent-2-ene-1,5-diol

C8H14O2 — CID 56974932

IUPAC2-prop-2-enylpent-2-ene-1,5-diol
SMILESC=CCC(=CCCO)CO
InChIInChI=1S/C8H14O2/c1-2-4-8(7-10)5-3-6-9/h2,5,9-10H,1,3-4,6-7H2
InChIKeyMPTAVUQGVFDFHU-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.86
Rot. Bonds5

About 2-prop-2-enylpent-2-ene-1,5-diol

2-prop-2-enylpent-2-ene-1,5-diol (PubChem CID 56974932) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-prop-2-enylpent-2-ene-1,5-diol.

Molecular Properties

Compound Name2-prop-2-enylpent-2-ene-1,5-diol
PubChem CID56974932
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-prop-2-enylpent-2-ene-1,5-diol
SMILESC=CCC(=CCCO)CO
InChIInChI=1S/C8H14O2/c1-2-4-8(7-10)5-3-6-9/h2,5,9-10H,1,3-4,6-7H2
InChIKeyMPTAVUQGVFDFHU-UHFFFAOYSA-N
XLogP0.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.86
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 2-prop-2-enylpent-2-ene-1,5-diol?
The IUPAC name of 2-prop-2-enylpent-2-ene-1,5-diol (CID 56974932) is 2-prop-2-enylpent-2-ene-1,5-diol.
What is the SMILES notation for 2-prop-2-enylpent-2-ene-1,5-diol?
The canonical SMILES for 2-prop-2-enylpent-2-ene-1,5-diol is C=CCC(=CCCO)CO.
What is the InChIKey of 2-prop-2-enylpent-2-ene-1,5-diol?
The InChIKey is MPTAVUQGVFDFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-4-8(7-10)5-3-6-9/h2,5,9-10H,1,3-4,6-7H2.
What are the key properties of 2-prop-2-enylpent-2-ene-1,5-diol?
2-prop-2-enylpent-2-ene-1,5-diol has a molecular weight of 142.20 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylpent-2-ene-1,5-diol is sourced from PubChem (CID 56974932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).