4-ethyltridecane-1,2-diol

C15H32O2 — CID 174824955

IUPAC4-ethyltridecane-1,2-diol
SMILESCCCCCCCCCC(CC)CC(O)CO
InChIInChI=1S/C15H32O2/c1-3-5-6-7-8-9-10-11-14(4-2)12-15(17)13-16/h14-17H,3-13H2,1-2H3
InChIKeyLZQABFDNTXAFTE-UHFFFAOYSA-N
MW244.42 g/mol
LogP3.90
Rot. Bonds12

About 4-ethyltridecane-1,2-diol

4-ethyltridecane-1,2-diol (PubChem CID 174824955) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 4-ethyltridecane-1,2-diol.

Molecular Properties

Compound Name4-ethyltridecane-1,2-diol
PubChem CID174824955
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name4-ethyltridecane-1,2-diol
SMILESCCCCCCCCCC(CC)CC(O)CO
InChIInChI=1S/C15H32O2/c1-3-5-6-7-8-9-10-11-14(4-2)12-15(17)13-16/h14-17H,3-13H2,1-2H3
InChIKeyLZQABFDNTXAFTE-UHFFFAOYSA-N
XLogP3.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 155059029
2-ethyldecane-1,4-diol
CID 90936886
2-hexyldecane-1,4-diol
CID 54102250
2-ethyldodecan-1-ol
CID 545553
azane;3-ethylhenicosan-1-ol
CID 174815540
9-hexylheptadecan-7-ol
CID 19871685
tricosane-1,2-diol
CID 42607324
(2R)-nonadecane-1,2-diol
CID 124511707
(2R)-octane-1,2-diol
CID 6994435
(2R)-decane-1,2-diol
CID 10888425
triacontane-1,2-diol
CID 19770548
9-ethyl-7-pentylhexadecane
CID 91283125

Frequently Asked Questions

What is the IUPAC name of 4-ethyltridecane-1,2-diol?
The IUPAC name of 4-ethyltridecane-1,2-diol (CID 174824955) is 4-ethyltridecane-1,2-diol.
What is the SMILES notation for 4-ethyltridecane-1,2-diol?
The canonical SMILES for 4-ethyltridecane-1,2-diol is CCCCCCCCCC(CC)CC(O)CO.
What is the InChIKey of 4-ethyltridecane-1,2-diol?
The InChIKey is LZQABFDNTXAFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2/c1-3-5-6-7-8-9-10-11-14(4-2)12-15(17)13-16/h14-17H,3-13H2,1-2H3.
What are the key properties of 4-ethyltridecane-1,2-diol?
4-ethyltridecane-1,2-diol has a molecular weight of 244.42 g/mol, XLogP of 3.90, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyltridecane-1,2-diol is sourced from PubChem (CID 174824955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).