(3E)-2-hydroxy-4,8-dimethylnona-3,7-dienal

C11H18O2 — CID 6433322

IUPAC(3E)-2-hydroxy-4,8-dimethylnona-3,7-dienal
SMILESCC(C)=CCC/C(C)=C/C(O)C=O
InChIInChI=1S/C11H18O2/c1-9(2)5-4-6-10(3)7-11(13)8-12/h5,7-8,11,13H,4,6H2,1-3H3/b10-7+
InChIKeyDIHFALQHYSMKMB-JXMROGBWSA-N
MW182.26 g/mol
LogP2.24
Rot. Bonds5

About (3E)-2-hydroxy-4,8-dimethylnona-3,7-dienal

(3E)-2-hydroxy-4,8-dimethylnona-3,7-dienal (PubChem CID 6433322) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (3E)-2-hydroxy-4,8-dimethylnona-3,7-dienal.

Molecular Properties

Compound Name(3E)-2-hydroxy-4,8-dimethylnona-3,7-dienal
PubChem CID6433322
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(3E)-2-hydroxy-4,8-dimethylnona-3,7-dienal
SMILESCC(C)=CCC/C(C)=C/C(O)C=O
InChIInChI=1S/C11H18O2/c1-9(2)5-4-6-10(3)7-11(13)8-12/h5,7-8,11,13H,4,6H2,1-3H3/b10-7+
InChIKeyDIHFALQHYSMKMB-JXMROGBWSA-N
XLogP2.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E)-2-hydroxy-4,8-dimethylnona-3,7-dienal 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

(14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol
CID 88794076
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol
CID 140692996
(6E)-8-ethyl-2,6-dimethyldeca-2,6-diene
CID 174724877
(3E)-1,1,1-trifluoro-4,8-dimethylnona-3,7-dien-2-ol
CID 56942415
(4E,8E)-3-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienoic acid
CID 19705901
3,7,11,15,19-pentamethyl-1-methylsulfonylicosa-2,6,10,14,18-pentaen-1-ol
CID 54376862
[(1R,2Z,6Z)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphonic acid
CID 125183305
3,7-dimethylocta-2,6-dienal
CID 8843
(2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene
CID 5352435
(4E)-2-acetyl-3-hydroxy-5,9-dimethyldeca-4,8-dienoic acid
CID 141005453
[(2E)-1-acetyloxy-3,7-dimethylocta-2,6-dienyl] acetate
CID 15212203
(4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol
CID 10890690

Frequently Asked Questions

What is the IUPAC name of (3E)-2-hydroxy-4,8-dimethylnona-3,7-dienal?
The IUPAC name of (3E)-2-hydroxy-4,8-dimethylnona-3,7-dienal (CID 6433322) is (3E)-2-hydroxy-4,8-dimethylnona-3,7-dienal.
What is the SMILES notation for (3E)-2-hydroxy-4,8-dimethylnona-3,7-dienal?
The canonical SMILES for (3E)-2-hydroxy-4,8-dimethylnona-3,7-dienal is CC(C)=CCC/C(C)=C/C(O)C=O.
What is the InChIKey of (3E)-2-hydroxy-4,8-dimethylnona-3,7-dienal?
The InChIKey is DIHFALQHYSMKMB-JXMROGBWSA-N. The full InChI is InChI=1S/C11H18O2/c1-9(2)5-4-6-10(3)7-11(13)8-12/h5,7-8,11,13H,4,6H2,1-3H3/b10-7+.
What are the key properties of (3E)-2-hydroxy-4,8-dimethylnona-3,7-dienal?
(3E)-2-hydroxy-4,8-dimethylnona-3,7-dienal has a molecular weight of 182.26 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-hydroxy-4,8-dimethylnona-3,7-dienal is sourced from PubChem (CID 6433322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).