4-propylnon-6-ene-3,4-diol

C12H24O2 — CID 54405480

IUPAC4-propylnon-6-ene-3,4-diol
SMILESCCC=CCC(O)(CCC)C(O)CC
InChIInChI=1S/C12H24O2/c1-4-7-8-10-12(14,9-5-2)11(13)6-3/h7-8,11,13-14H,4-6,9-10H2,1-3H3
InChIKeyURFQNXAQUPOQCS-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.64
Rot. Bonds7

About 4-propylnon-6-ene-3,4-diol

4-propylnon-6-ene-3,4-diol (PubChem CID 54405480) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 4-propylnon-6-ene-3,4-diol.

Molecular Properties

Compound Name4-propylnon-6-ene-3,4-diol
PubChem CID54405480
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name4-propylnon-6-ene-3,4-diol
SMILESCCC=CCC(O)(CCC)C(O)CC
InChIInChI=1S/C12H24O2/c1-4-7-8-10-12(14,9-5-2)11(13)6-3/h7-8,11,13-14H,4-6,9-10H2,1-3H3
InChIKeyURFQNXAQUPOQCS-UHFFFAOYSA-N
XLogP2.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.64
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 4-propylnon-6-ene-3,4-diol?
The IUPAC name of 4-propylnon-6-ene-3,4-diol (CID 54405480) is 4-propylnon-6-ene-3,4-diol.
What is the SMILES notation for 4-propylnon-6-ene-3,4-diol?
The canonical SMILES for 4-propylnon-6-ene-3,4-diol is CCC=CCC(O)(CCC)C(O)CC.
What is the InChIKey of 4-propylnon-6-ene-3,4-diol?
The InChIKey is URFQNXAQUPOQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-7-8-10-12(14,9-5-2)11(13)6-3/h7-8,11,13-14H,4-6,9-10H2,1-3H3.
What are the key properties of 4-propylnon-6-ene-3,4-diol?
4-propylnon-6-ene-3,4-diol has a molecular weight of 200.32 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylnon-6-ene-3,4-diol is sourced from PubChem (CID 54405480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).