(4Z)-2,6-dimethylhepta-2,4-dien-3-ol

C9H16O — CID 143340154

IUPAC(4Z)-2,6-dimethylhepta-2,4-dien-3-ol
SMILESCC(C)=C(O)/C=C\C(C)C
InChIInChI=1S/C9H16O/c1-7(2)5-6-9(10)8(3)4/h5-7,10H,1-4H3/b6-5-
InChIKeyZXPGKLQFIKMLAN-WAYWQWQTSA-N
MW140.23 g/mol
LogP3.05
Rot. Bonds2

About (4Z)-2,6-dimethylhepta-2,4-dien-3-ol

(4Z)-2,6-dimethylhepta-2,4-dien-3-ol (PubChem CID 143340154) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (4Z)-2,6-dimethylhepta-2,4-dien-3-ol.

Molecular Properties

Compound Name(4Z)-2,6-dimethylhepta-2,4-dien-3-ol
PubChem CID143340154
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(4Z)-2,6-dimethylhepta-2,4-dien-3-ol
SMILESCC(C)=C(O)/C=C\C(C)C
InChIInChI=1S/C9H16O/c1-7(2)5-6-9(10)8(3)4/h5-7,10H,1-4H3/b6-5-
InChIKeyZXPGKLQFIKMLAN-WAYWQWQTSA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (4Z)-2,6-dimethylhepta-2,4-dien-3-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

6-methylhepta-3,5-diene-1,2,5-triol
CID 173348804
acetic acid;2,7-dimethylocta-2,4,6-triene-3,6-diol
CID 71330443
5-methylhex-3-en-2-one;palladium(2+);dichloride
CID 173341273
(NZ)-N-[(E)-5-methylhex-3-en-2-ylidene]hydroxylamine
CID 58526738
(1Z,3Z)-2,5-dimethylhexa-1,3-dien-1-amine;ethane
CID 145443397
molecular iodine;(3Z,5Z)-2,4,7-trimethylocta-3,5-diene
CID 158020066
(NZ)-N-[(Z)-5-methylhex-3-en-2-ylidene]thiohydroxylamine
CID 144511460
(E,3E)-3-ethylidene-6-methylhept-4-en-2-one
CID 91250506
(3Z)-2-chloro-5-methylhexa-1,3-diene
CID 129234698
(4Z)-2,6-dimethylhepta-1,4-dien-3-imine
CID 123954860
ethane;(Z)-N-ethenyl-5-methylhex-3-en-2-imine
CID 156743916
(Z)-3-methylbut-1-en-1-ol
CID 58488783

Frequently Asked Questions

What is the IUPAC name of (4Z)-2,6-dimethylhepta-2,4-dien-3-ol?
The IUPAC name of (4Z)-2,6-dimethylhepta-2,4-dien-3-ol (CID 143340154) is (4Z)-2,6-dimethylhepta-2,4-dien-3-ol.
What is the SMILES notation for (4Z)-2,6-dimethylhepta-2,4-dien-3-ol?
The canonical SMILES for (4Z)-2,6-dimethylhepta-2,4-dien-3-ol is CC(C)=C(O)/C=C\C(C)C.
What is the InChIKey of (4Z)-2,6-dimethylhepta-2,4-dien-3-ol?
The InChIKey is ZXPGKLQFIKMLAN-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H16O/c1-7(2)5-6-9(10)8(3)4/h5-7,10H,1-4H3/b6-5-.
What are the key properties of (4Z)-2,6-dimethylhepta-2,4-dien-3-ol?
(4Z)-2,6-dimethylhepta-2,4-dien-3-ol has a molecular weight of 140.23 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2,6-dimethylhepta-2,4-dien-3-ol is sourced from PubChem (CID 143340154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).