hex-2-ene-1,6-diol;hex-3-ene-1,6-diol

C12H24O4 — CID 173026938

IUPAChex-2-ene-1,6-diol;hex-3-ene-1,6-diol
SMILESOCC=CCCCO.OCCC=CCCO
InChIInChI=1S/2C6H12O2/c2*7-5-3-1-2-4-6-8/h1,3,7-8H,2,4-6H2;1-2,7-8H,3-6H2
InChIKeyQUJTZQCPCKWMQL-UHFFFAOYSA-N
MW232.32 g/mol
LogP0.61
Rot. Bonds8

About hex-2-ene-1,6-diol;hex-3-ene-1,6-diol

hex-2-ene-1,6-diol;hex-3-ene-1,6-diol (PubChem CID 173026938) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is hex-2-ene-1,6-diol;hex-3-ene-1,6-diol.

Molecular Properties

Compound Namehex-2-ene-1,6-diol;hex-3-ene-1,6-diol
PubChem CID173026938
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Namehex-2-ene-1,6-diol;hex-3-ene-1,6-diol
SMILESOCC=CCCCO.OCCC=CCCO
InChIInChI=1S/2C6H12O2/c2*7-5-3-1-2-4-6-8/h1,3,7-8H,2,4-6H2;1-2,7-8H,3-6H2
InChIKeyQUJTZQCPCKWMQL-UHFFFAOYSA-N
XLogP0.61
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 57064560
hexadec-8-ene-1,16-diol
CID 54395986
hex-3-en-1-ol;hex-4-en-1-ol
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(E)-7-bromohept-3-en-1-ol
CID 163205000
(E)-7-iodohept-4-en-1-ol
CID 6376837
(Z)-hept-4-en-1-ol
CID 5367536
(7Z,11Z)-octadeca-7,11-diene-1,18-diol
CID 171904791
7-bromohept-2-en-1-ol
CID 85361103
(Z)-13-chlorotridec-3-en-1-ol
CID 163204990
heptadec-3-en-1-ol
CID 86130004
(Z)-12-bromododec-3-en-1-ol
CID 163205087
(2E,13Z)-octadeca-2,13-dien-1-ol
CID 5283306

Frequently Asked Questions

What is the IUPAC name of hex-2-ene-1,6-diol;hex-3-ene-1,6-diol?
The IUPAC name of hex-2-ene-1,6-diol;hex-3-ene-1,6-diol (CID 173026938) is hex-2-ene-1,6-diol;hex-3-ene-1,6-diol.
What is the SMILES notation for hex-2-ene-1,6-diol;hex-3-ene-1,6-diol?
The canonical SMILES for hex-2-ene-1,6-diol;hex-3-ene-1,6-diol is OCC=CCCCO.OCCC=CCCO.
What is the InChIKey of hex-2-ene-1,6-diol;hex-3-ene-1,6-diol?
The InChIKey is QUJTZQCPCKWMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12O2/c2*7-5-3-1-2-4-6-8/h1,3,7-8H,2,4-6H2;1-2,7-8H,3-6H2.
What are the key properties of hex-2-ene-1,6-diol;hex-3-ene-1,6-diol?
hex-2-ene-1,6-diol;hex-3-ene-1,6-diol has a molecular weight of 232.32 g/mol, XLogP of 0.61, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hex-2-ene-1,6-diol;hex-3-ene-1,6-diol is sourced from PubChem (CID 173026938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).