(2E,4E)-hexa-2,4-diene-1,6-diol

C6H10O2 — CID 6440316

IUPAC(2E,4E)-hexa-2,4-diene-1,6-diol
SMILESOC/C=C/C=C/CO
InChIInChI=1S/C6H10O2/c7-5-3-1-2-4-6-8/h1-4,7-8H,5-6H2/b3-1+,4-2+
InChIKeyUALGDSCLDIEGCQ-ZPUQHVIOSA-N
MW114.14 g/mol
LogP0.08
Rot. Bonds3

About (2E,4E)-hexa-2,4-diene-1,6-diol

(2E,4E)-hexa-2,4-diene-1,6-diol (PubChem CID 6440316) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (2E,4E)-hexa-2,4-diene-1,6-diol.

Molecular Properties

Compound Name(2E,4E)-hexa-2,4-diene-1,6-diol
PubChem CID6440316
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(2E,4E)-hexa-2,4-diene-1,6-diol
SMILESOC/C=C/C=C/CO
InChIInChI=1S/C6H10O2/c7-5-3-1-2-4-6-8/h1-4,7-8H,5-6H2/b3-1+,4-2+
InChIKeyUALGDSCLDIEGCQ-ZPUQHVIOSA-N
XLogP0.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-7-aminohepta-2,4-dien-1-ol
CID 102305339
(2E)-6,6-dimethylhepta-2,4-dien-1-ol
CID 154163380
CID 175978360
CID 175978360
docosa-2,4,7,10,13,16,19-heptaen-1-ol
CID 74387239
5,5-difluoropenta-2,4-dien-1-ol
CID 162537036
nona-2,4-diene-1,7-diol
CID 54560348
(2E,4E)-5-cyclohexylpenta-2,4-dien-1-ol
CID 15237283
(213C)octa-2,6-diene-1,8-diol
CID 57064560
methyl (2E,4E,6E,8E)-10-hydroxydeca-2,4,6,8-tetraenoate
CID 177407003
acetyl acetate;(2E,4E)-hexa-2,4-dien-1-ol
CID 158678066
3-ethenylocta-1,4,6-triene-1,8-diol
CID 173309015
hexadeca-2,4,6,8,10-pentaene-1,13-diol
CID 71373655

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-hexa-2,4-diene-1,6-diol?
The IUPAC name of (2E,4E)-hexa-2,4-diene-1,6-diol (CID 6440316) is (2E,4E)-hexa-2,4-diene-1,6-diol.
What is the SMILES notation for (2E,4E)-hexa-2,4-diene-1,6-diol?
The canonical SMILES for (2E,4E)-hexa-2,4-diene-1,6-diol is OC/C=C/C=C/CO.
What is the InChIKey of (2E,4E)-hexa-2,4-diene-1,6-diol?
The InChIKey is UALGDSCLDIEGCQ-ZPUQHVIOSA-N. The full InChI is InChI=1S/C6H10O2/c7-5-3-1-2-4-6-8/h1-4,7-8H,5-6H2/b3-1+,4-2+.
What are the key properties of (2E,4E)-hexa-2,4-diene-1,6-diol?
(2E,4E)-hexa-2,4-diene-1,6-diol has a molecular weight of 114.14 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-hexa-2,4-diene-1,6-diol is sourced from PubChem (CID 6440316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).