tetradec-13-ene-1,2-diol

C14H28O2 — CID 3020998

IUPACtetradec-13-ene-1,2-diol
SMILESC=CCCCCCCCCCCC(O)CO
InChIInChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15/h2,14-16H,1,3-13H2
InChIKeyKLRIGFIZXKJATE-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.43
Rot. Bonds12

About tetradec-13-ene-1,2-diol

tetradec-13-ene-1,2-diol (PubChem CID 3020998) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is tetradec-13-ene-1,2-diol.

Molecular Properties

Compound Nametetradec-13-ene-1,2-diol
PubChem CID3020998
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Nametetradec-13-ene-1,2-diol
SMILESC=CCCCCCCCCCCC(O)CO
InChIInChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15/h2,14-16H,1,3-13H2
InChIKeyKLRIGFIZXKJATE-UHFFFAOYSA-N
XLogP3.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetradec-13-ene-1,2-diol?
The IUPAC name of tetradec-13-ene-1,2-diol (CID 3020998) is tetradec-13-ene-1,2-diol.
What is the SMILES notation for tetradec-13-ene-1,2-diol?
The canonical SMILES for tetradec-13-ene-1,2-diol is C=CCCCCCCCCCCC(O)CO.
What is the InChIKey of tetradec-13-ene-1,2-diol?
The InChIKey is KLRIGFIZXKJATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15/h2,14-16H,1,3-13H2.
What are the key properties of tetradec-13-ene-1,2-diol?
tetradec-13-ene-1,2-diol has a molecular weight of 228.38 g/mol, XLogP of 3.43, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradec-13-ene-1,2-diol is sourced from PubChem (CID 3020998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).