13-methyltetradecane-1,12,13-triol

C15H32O3 — CID 90439785

IUPAC13-methyltetradecane-1,12,13-triol
SMILESCC(C)(O)C(O)CCCCCCCCCCCO
InChIInChI=1S/C15H32O3/c1-15(2,18)14(17)12-10-8-6-4-3-5-7-9-11-13-16/h14,16-18H,3-13H2,1-2H3
InChIKeyCRTPOUNDAXYTKT-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.01
Rot. Bonds12

About 13-methyltetradecane-1,12,13-triol

13-methyltetradecane-1,12,13-triol (PubChem CID 90439785) has the molecular formula C15H32O3 and a molecular weight of 260.42 g/mol. Its IUPAC name is 13-methyltetradecane-1,12,13-triol.

Molecular Properties

Compound Name13-methyltetradecane-1,12,13-triol
PubChem CID90439785
Molecular FormulaC15H32O3
Molecular Weight260.42 g/mol
Exact Mass260.24
IUPAC Name13-methyltetradecane-1,12,13-triol
SMILESCC(C)(O)C(O)CCCCCCCCCCCO
InChIInChI=1S/C15H32O3/c1-15(2,18)14(17)12-10-8-6-4-3-5-7-9-11-13-16/h14,16-18H,3-13H2,1-2H3
InChIKeyCRTPOUNDAXYTKT-UHFFFAOYSA-N
XLogP3.01
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

16-methylheptadecane-1,15,16-triol
CID 90439756
2-methyldodecane-2,3-diol
CID 90439854
2-methylheptadecane-2,3-diol
CID 90439823
15-methylhexadecane-1,12,15-triol
CID 90439897
2,2,11,11-tetramethyldodecane-3,10-diol
CID 86054845
6,6,6-tris(sulfanyl)hexane-1,5-diol
CID 89422514
(3R)-2,9-dimethyldec-8-ene-2,3-diol
CID 134855668
(10S)-undecane-1,10-diol
CID 129382222
henicosane-1,20-diol
CID 86247204
hexadecane-1,15-diol
CID 53400630
10-methylundecane-1,6,8,10-tetrol
CID 90955825
hexadecane-1,8,16-triol
CID 11403100

Frequently Asked Questions

What is the IUPAC name of 13-methyltetradecane-1,12,13-triol?
The IUPAC name of 13-methyltetradecane-1,12,13-triol (CID 90439785) is 13-methyltetradecane-1,12,13-triol.
What is the SMILES notation for 13-methyltetradecane-1,12,13-triol?
The canonical SMILES for 13-methyltetradecane-1,12,13-triol is CC(C)(O)C(O)CCCCCCCCCCCO.
What is the InChIKey of 13-methyltetradecane-1,12,13-triol?
The InChIKey is CRTPOUNDAXYTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3/c1-15(2,18)14(17)12-10-8-6-4-3-5-7-9-11-13-16/h14,16-18H,3-13H2,1-2H3.
What are the key properties of 13-methyltetradecane-1,12,13-triol?
13-methyltetradecane-1,12,13-triol has a molecular weight of 260.42 g/mol, XLogP of 3.01, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyltetradecane-1,12,13-triol is sourced from PubChem (CID 90439785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).