3,5-dimethoxy-2,4-dimethylnona-6,8-dien-1-ol

C13H24O3 — CID 123228033

IUPAC3,5-dimethoxy-2,4-dimethylnona-6,8-dien-1-ol
SMILESC=CC=CC(OC)C(C)C(OC)C(C)CO
InChIInChI=1S/C13H24O3/c1-6-7-8-12(15-4)11(3)13(16-5)10(2)9-14/h6-8,10-14H,1,9H2,2-5H3
InChIKeyPSQPYTRWHUNJJU-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.02
Rot. Bonds8

About 3,5-dimethoxy-2,4-dimethylnona-6,8-dien-1-ol

3,5-dimethoxy-2,4-dimethylnona-6,8-dien-1-ol (PubChem CID 123228033) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 3,5-dimethoxy-2,4-dimethylnona-6,8-dien-1-ol.

Molecular Properties

Compound Name3,5-dimethoxy-2,4-dimethylnona-6,8-dien-1-ol
PubChem CID123228033
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name3,5-dimethoxy-2,4-dimethylnona-6,8-dien-1-ol
SMILESC=CC=CC(OC)C(C)C(OC)C(C)CO
InChIInChI=1S/C13H24O3/c1-6-7-8-12(15-4)11(3)13(16-5)10(2)9-14/h6-8,10-14H,1,9H2,2-5H3
InChIKeyPSQPYTRWHUNJJU-UHFFFAOYSA-N
XLogP2.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,5-dimethoxy-2,4-dimethylnona-6,8-dien-1-ol 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

(5Z,13Z)-3,9,11-trimethoxy-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trien-1-ol
CID 59958302
(3Z,5S,7S,9S,11Z,13S)-6,8,14-trimethoxy-5,7,9,11,13,15-hexamethylhexadeca-1,3,11-triene
CID 59958292
(2S,3R,4S,5S,6S,7Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2,4,6-trimethyldeca-7,9-dien-1-ol
CID 11474668
(3E)-5-methoxyhexa-1,3-diene
CID 13463245
(2S,3R,4S)-3-methoxy-2,4,6-trimethylhept-5-en-1-ol
CID 59678397
(2S,3R,4R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-5-triethylsilyloxydeca-7,9-dien-1-ol
CID 57352136
(2R,3S,4S)-3-methoxy-2,4-dimethylhept-5-yn-1-ol
CID 134974746
3-methoxy-2,4-dimethylhept-5-yn-1-ol
CID 74323439
(2S,3S)-3-methoxypent-4-ene-1,2-diol
CID 14889025
1-methoxypenta-2,4-diene-1-sulfonic acid
CID 123324786
(2S,3R,4R,5R,6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4,6-trimethyldeca-7,9-dien-1-ol
CID 59891908
5-methylnona-1,3-diene
CID 90893682

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-2,4-dimethylnona-6,8-dien-1-ol?
The IUPAC name of 3,5-dimethoxy-2,4-dimethylnona-6,8-dien-1-ol (CID 123228033) is 3,5-dimethoxy-2,4-dimethylnona-6,8-dien-1-ol.
What is the SMILES notation for 3,5-dimethoxy-2,4-dimethylnona-6,8-dien-1-ol?
The canonical SMILES for 3,5-dimethoxy-2,4-dimethylnona-6,8-dien-1-ol is C=CC=CC(OC)C(C)C(OC)C(C)CO.
What is the InChIKey of 3,5-dimethoxy-2,4-dimethylnona-6,8-dien-1-ol?
The InChIKey is PSQPYTRWHUNJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-6-7-8-12(15-4)11(3)13(16-5)10(2)9-14/h6-8,10-14H,1,9H2,2-5H3.
What are the key properties of 3,5-dimethoxy-2,4-dimethylnona-6,8-dien-1-ol?
3,5-dimethoxy-2,4-dimethylnona-6,8-dien-1-ol has a molecular weight of 228.33 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-2,4-dimethylnona-6,8-dien-1-ol is sourced from PubChem (CID 123228033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).