hex-5-ene-1,3-diol

C6H12O2 — CID 15626312

IUPAChex-5-ene-1,3-diol
SMILESC=CCC(O)CCO
InChIInChI=1S/C6H12O2/c1-2-3-6(8)4-5-7/h2,6-8H,1,3-5H2
InChIKeyOZOKKOWYBNSFPC-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.31
Rot. Bonds4

About hex-5-ene-1,3-diol

hex-5-ene-1,3-diol (PubChem CID 15626312) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is hex-5-ene-1,3-diol.

Molecular Properties

Compound Namehex-5-ene-1,3-diol
PubChem CID15626312
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Namehex-5-ene-1,3-diol
SMILESC=CCC(O)CCO
InChIInChI=1S/C6H12O2/c1-2-3-6(8)4-5-7/h2,6-8H,1,3-5H2
InChIKeyOZOKKOWYBNSFPC-UHFFFAOYSA-N
XLogP0.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

nona-1,8-dien-4-ol
CID 14385456
(4S)-oct-1-en-7-yn-4-ol
CID 101065772
(4R)-8-methylnon-1-en-4-ol
CID 11672703
(4R)-dodec-1-en-4-ol
CID 11074077
(3S)-hex-5-en-3-ol
CID 10749148
hex-5-en-3-ol
CID 158321330
3-(1-hydroxyhex-5-en-3-yloxy)hex-5-en-1-ol
CID 139513174
5-hydroxyoct-7-enoic acid
CID 10953792
1-cyclopentylhex-5-en-3-ol
CID 115778851
(2R,3R,5R)-5,7-dihydroxy-3-prop-2-enylheptane-2-sulfonamide
CID 130367538
(2S,3R,5R)-5,7-dihydroxy-3-prop-2-enylheptane-2-sulfonamide
CID 130367620
5,7-dihydroxy-3-prop-2-enylheptane-2-sulfonamide
CID 166665239

Frequently Asked Questions

What is the IUPAC name of hex-5-ene-1,3-diol?
The IUPAC name of hex-5-ene-1,3-diol (CID 15626312) is hex-5-ene-1,3-diol.
What is the SMILES notation for hex-5-ene-1,3-diol?
The canonical SMILES for hex-5-ene-1,3-diol is C=CCC(O)CCO.
What is the InChIKey of hex-5-ene-1,3-diol?
The InChIKey is OZOKKOWYBNSFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-2-3-6(8)4-5-7/h2,6-8H,1,3-5H2.
What are the key properties of hex-5-ene-1,3-diol?
hex-5-ene-1,3-diol has a molecular weight of 116.16 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-ene-1,3-diol is sourced from PubChem (CID 15626312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).