tetradec-3-ene-1,2,2-triol

C14H28O3 — CID 139766469

IUPACtetradec-3-ene-1,2,2-triol
SMILESCCCCCCCCCCC=CC(O)(O)CO
InChIInChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-14(16,17)13-15/h11-12,15-17H,2-10,13H2,1H3
InChIKeyCEALCGVGXQMLIA-UHFFFAOYSA-N
MW244.37 g/mol
LogP2.75
Rot. Bonds11

About tetradec-3-ene-1,2,2-triol

tetradec-3-ene-1,2,2-triol (PubChem CID 139766469) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is tetradec-3-ene-1,2,2-triol.

Molecular Properties

Compound Nametetradec-3-ene-1,2,2-triol
PubChem CID139766469
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Nametetradec-3-ene-1,2,2-triol
SMILESCCCCCCCCCCC=CC(O)(O)CO
InChIInChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-14(16,17)13-15/h11-12,15-17H,2-10,13H2,1H3
InChIKeyCEALCGVGXQMLIA-UHFFFAOYSA-N
XLogP2.75
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(9Z)-hexatriaconta-9,19-diene-18,18-diol
CID 173172892
dodec-2-ene-1,1,1-triol
CID 139766576
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715

Frequently Asked Questions

What is the IUPAC name of tetradec-3-ene-1,2,2-triol?
The IUPAC name of tetradec-3-ene-1,2,2-triol (CID 139766469) is tetradec-3-ene-1,2,2-triol.
What is the SMILES notation for tetradec-3-ene-1,2,2-triol?
The canonical SMILES for tetradec-3-ene-1,2,2-triol is CCCCCCCCCCC=CC(O)(O)CO.
What is the InChIKey of tetradec-3-ene-1,2,2-triol?
The InChIKey is CEALCGVGXQMLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-14(16,17)13-15/h11-12,15-17H,2-10,13H2,1H3.
What are the key properties of tetradec-3-ene-1,2,2-triol?
tetradec-3-ene-1,2,2-triol has a molecular weight of 244.37 g/mol, XLogP of 2.75, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetradec-3-ene-1,2,2-triol is sourced from PubChem (CID 139766469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).