(3Z,5Z)-4-methylhepta-1,3,5-triene-2,5-diol

C8H12O2 — CID 122535316

IUPAC(3Z,5Z)-4-methylhepta-1,3,5-triene-2,5-diol
SMILESC=C(O)/C=C(C)\C(O)=C\C
InChIInChI=1S/C8H12O2/c1-4-8(10)6(2)5-7(3)9/h4-5,9-10H,3H2,1-2H3/b6-5-,8-4-
InChIKeyIDVFRTWWZLLAAI-QUXRQYFZSA-N
MW140.18 g/mol
LogP2.47
Rot. Bonds2

About (3Z,5Z)-4-methylhepta-1,3,5-triene-2,5-diol

(3Z,5Z)-4-methylhepta-1,3,5-triene-2,5-diol (PubChem CID 122535316) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (3Z,5Z)-4-methylhepta-1,3,5-triene-2,5-diol.

Molecular Properties

Compound Name(3Z,5Z)-4-methylhepta-1,3,5-triene-2,5-diol
PubChem CID122535316
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(3Z,5Z)-4-methylhepta-1,3,5-triene-2,5-diol
SMILESC=C(O)/C=C(C)\C(O)=C\C
InChIInChI=1S/C8H12O2/c1-4-8(10)6(2)5-7(3)9/h4-5,9-10H,3H2,1-2H3/b6-5-,8-4-
InChIKeyIDVFRTWWZLLAAI-QUXRQYFZSA-N
XLogP2.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-penta-1,3-diene-2,4-diol
CID 21340298
ethane;(3E)-5-methylhexa-1,3,5-triene-2,4-diol
CID 143687304
(3Z,5E)-4-[(Z)-but-2-en-2-yl]hepta-1,3,5-triene-2,6-diol
CID 144980471
(2E,4E)-4-bromo-6-fluorohepta-2,4,6-trien-3-ol
CID 178133361
(2E,5Z)-5-methyl-4-methylidenehepta-2,5-dien-2-amine
CID 169247779
(3E)-5-chlorohexa-1,3,5-triene-2,4-diol
CID 142903304
(5E)-5-methyl-3,4-dimethylidenehepta-1,5-diene
CID 144801201
ethane;(3E)-5-methylhexa-1,3,5-triene-2,3-diol
CID 143169625
(3Z,6Z)-2,6-dimethyl-5-methylideneocta-1,3,6-triene
CID 166131805
(3E,5Z)-hepta-1,3,5-triene-2,3,5,6-tetrol
CID 90148022
(3Z,5Z)-2-chloro-4,5-dimethylhepta-1,3,5-triene
CID 143318485
(3E,5Z)-6-(dimethylamino)-4-methylhexa-1,3,5-trien-2-ol
CID 166800297

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-4-methylhepta-1,3,5-triene-2,5-diol?
The IUPAC name of (3Z,5Z)-4-methylhepta-1,3,5-triene-2,5-diol (CID 122535316) is (3Z,5Z)-4-methylhepta-1,3,5-triene-2,5-diol.
What is the SMILES notation for (3Z,5Z)-4-methylhepta-1,3,5-triene-2,5-diol?
The canonical SMILES for (3Z,5Z)-4-methylhepta-1,3,5-triene-2,5-diol is C=C(O)/C=C(C)\C(O)=C\C.
What is the InChIKey of (3Z,5Z)-4-methylhepta-1,3,5-triene-2,5-diol?
The InChIKey is IDVFRTWWZLLAAI-QUXRQYFZSA-N. The full InChI is InChI=1S/C8H12O2/c1-4-8(10)6(2)5-7(3)9/h4-5,9-10H,3H2,1-2H3/b6-5-,8-4-.
What are the key properties of (3Z,5Z)-4-methylhepta-1,3,5-triene-2,5-diol?
(3Z,5Z)-4-methylhepta-1,3,5-triene-2,5-diol has a molecular weight of 140.18 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-methylhepta-1,3,5-triene-2,5-diol is sourced from PubChem (CID 122535316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).