(E,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diol

C9H14O2 — CID 143337042

IUPAC(E,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diol
SMILESC=C(C)/C=C(\C=C(/C)O)CO
InChIInChI=1S/C9H14O2/c1-7(2)4-9(6-10)5-8(3)11/h4-5,10-11H,1,6H2,2-3H3/b8-5+,9-4+
InChIKeyWZLGPZUIXRDPPK-CCMAPKILSA-N
MW154.21 g/mol
LogP1.94
Rot. Bonds3

About (E,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diol

(E,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diol (PubChem CID 143337042) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (E,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diol.

Molecular Properties

Compound Name(E,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diol
PubChem CID143337042
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(E,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diol
SMILESC=C(C)/C=C(\C=C(/C)O)CO
InChIInChI=1S/C9H14O2/c1-7(2)4-9(6-10)5-8(3)11/h4-5,10-11H,1,6H2,2-3H3/b8-5+,9-4+
InChIKeyWZLGPZUIXRDPPK-CCMAPKILSA-N
XLogP1.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.94
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
tris((Z)-1,4-dihydroxypent-3-en-2-one);vanadium
CID 137224311
3-(2-methylprop-2-enylidene)penta-1,4-diene-2,4-diol
CID 142358246
ethane;(7Z)-7-ethenyl-9-methyldeca-7,9-dien-1-ol
CID 143822245
(3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dien-1-ol
CID 143577466
(3E)-3-[(Z)-3-hydroxy-2-methylprop-1-enyl]-5-methylhexa-3,5-dien-2-one
CID 89169252
ethane;(3E)-5-methylhexa-1,3,5-triene-2,3-diol
CID 143169625
(1E)-1-amino-3-methylbuta-1,3-dien-1-ol;ethane
CID 142851465
2,4-dimethylpenta-1,3-diene;ethane
CID 144511028
2,4-dimethylpenta-1,3-diene;rhodium
CID 175138892
(2E)-2-ethenyl-4,5-dimethylhexa-2,4-dien-1-ol
CID 142074679
(2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol
CID 145285923

Frequently Asked Questions

What is the IUPAC name of (E,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diol?
The IUPAC name of (E,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diol (CID 143337042) is (E,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diol.
What is the SMILES notation for (E,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diol?
The canonical SMILES for (E,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diol is C=C(C)/C=C(\C=C(/C)O)CO.
What is the InChIKey of (E,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diol?
The InChIKey is WZLGPZUIXRDPPK-CCMAPKILSA-N. The full InChI is InChI=1S/C9H14O2/c1-7(2)4-9(6-10)5-8(3)11/h4-5,10-11H,1,6H2,2-3H3/b8-5+,9-4+.
What are the key properties of (E,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diol?
(E,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diol has a molecular weight of 154.21 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diol is sourced from PubChem (CID 143337042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).