5-methylocta-4,6-diene-1,3-diol

C9H16O2 — CID 150016637

IUPAC5-methylocta-4,6-diene-1,3-diol
SMILESCC=CC(C)=CC(O)CCO
InChIInChI=1S/C9H16O2/c1-3-4-8(2)7-9(11)5-6-10/h3-4,7,9-11H,5-6H2,1-2H3
InChIKeyDEKDUZAQCGXFQX-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.25
Rot. Bonds4

About 5-methylocta-4,6-diene-1,3-diol

5-methylocta-4,6-diene-1,3-diol (PubChem CID 150016637) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 5-methylocta-4,6-diene-1,3-diol.

Molecular Properties

Compound Name5-methylocta-4,6-diene-1,3-diol
PubChem CID150016637
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name5-methylocta-4,6-diene-1,3-diol
SMILESCC=CC(C)=CC(O)CCO
InChIInChI=1S/C9H16O2/c1-3-4-8(2)7-9(11)5-6-10/h3-4,7,9-11H,5-6H2,1-2H3
InChIKeyDEKDUZAQCGXFQX-UHFFFAOYSA-N
XLogP1.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 5-methylocta-4,6-diene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-4,6-dihydroxy-2-methylhex-2-enoic acid
CID 57430856
2,5-dimethylocta-1,4,6-trien-3-ol
CID 54571338
4-methylhepta-3,5-dien-2-amine
CID 123570929
3,7,9-trimethyldodeca-8,10-dien-6-ol
CID 73121037
4,6-dihydroxy-2-methylhex-2-enoic acid;2-methylprop-2-enoic acid
CID 173155941
(E)-4-methyl-2-[(Z)-prop-1-enyl]hex-2-ene-1,6-diol
CID 88575633
(3R,5S)-dec-8-ene-1,3,5-triol
CID 57253187
(2E,4E,6S)-8-hydroxy-6-(hydroxymethyl)-4-methylocta-2,4-dienoic acid
CID 102356826
(Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene
CID 142057667
(E)-3-methyloct-6-en-1-ol
CID 14091580
(4Z,6E)-3,5-dimethylocta-2,4,6-triene
CID 144536479
(2E,4E)-N,3-dimethylhexa-2,4-dien-1-amine
CID 55299916

Frequently Asked Questions

What is the IUPAC name of 5-methylocta-4,6-diene-1,3-diol?
The IUPAC name of 5-methylocta-4,6-diene-1,3-diol (CID 150016637) is 5-methylocta-4,6-diene-1,3-diol.
What is the SMILES notation for 5-methylocta-4,6-diene-1,3-diol?
The canonical SMILES for 5-methylocta-4,6-diene-1,3-diol is CC=CC(C)=CC(O)CCO.
What is the InChIKey of 5-methylocta-4,6-diene-1,3-diol?
The InChIKey is DEKDUZAQCGXFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-4-8(2)7-9(11)5-6-10/h3-4,7,9-11H,5-6H2,1-2H3.
What are the key properties of 5-methylocta-4,6-diene-1,3-diol?
5-methylocta-4,6-diene-1,3-diol has a molecular weight of 156.22 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylocta-4,6-diene-1,3-diol is sourced from PubChem (CID 150016637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).