10,13-dimethyltetradecane-1,3,10,13-tetrol

C16H34O4 — CID 88708863

IUPAC10,13-dimethyltetradecane-1,3,10,13-tetrol
SMILESCC(C)(O)CCC(C)(O)CCCCCCC(O)CCO
InChIInChI=1S/C16H34O4/c1-15(2,19)11-12-16(3,20)10-7-5-4-6-8-14(18)9-13-17/h14,17-20H,4-13H2,1-3H3
InChIKeyLCGDAXBLCOZOHM-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.37
Rot. Bonds12

About 10,13-dimethyltetradecane-1,3,10,13-tetrol

10,13-dimethyltetradecane-1,3,10,13-tetrol (PubChem CID 88708863) has the molecular formula C16H34O4 and a molecular weight of 290.44 g/mol. Its IUPAC name is 10,13-dimethyltetradecane-1,3,10,13-tetrol.

Molecular Properties

Compound Name10,13-dimethyltetradecane-1,3,10,13-tetrol
PubChem CID88708863
Molecular FormulaC16H34O4
Molecular Weight290.44 g/mol
Exact Mass290.25
IUPAC Name10,13-dimethyltetradecane-1,3,10,13-tetrol
SMILESCC(C)(O)CCC(C)(O)CCCCCCC(O)CCO
InChIInChI=1S/C16H34O4/c1-15(2,19)11-12-16(3,20)10-7-5-4-6-8-14(18)9-13-17/h14,17-20H,4-13H2,1-3H3
InChIKeyLCGDAXBLCOZOHM-UHFFFAOYSA-N
XLogP2.37
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,14-dimethylpentadecane-2,8,14-triol
CID 88582277
8,11-dimethyldodecane-1,8,11-triol
CID 90439782
15-methylhexadecane-1,12,15-triol
CID 90439897
3,3,15,15-tetramethylheptadecane-1,9,17-triol
CID 59660187
2,5-dimethyloctadecane-2,5-diol
CID 90439837
9-hexylheptadecan-7-ol;3-hexyltridecan-1-ol;2-methylundecan-2-ol;3-methylundecan-3-ol;4-methylundecan-4-ol;nonan-1-ol;3-octyltridecan-1-ol
CID 173373134
octadecane-1,3,18-triol
CID 90439804
hexadecane-1,3,16-triol
CID 90439794
(3S,25S)-hexacosane-1,3,25-triol
CID 163073285
undecane-1,1,9,11-tetrol
CID 123331969
7,7,9-trimethyldecane-1,3-diol
CID 57089322
hexadecane-1,8,16-triol
CID 11403100

Frequently Asked Questions

What is the IUPAC name of 10,13-dimethyltetradecane-1,3,10,13-tetrol?
The IUPAC name of 10,13-dimethyltetradecane-1,3,10,13-tetrol (CID 88708863) is 10,13-dimethyltetradecane-1,3,10,13-tetrol.
What is the SMILES notation for 10,13-dimethyltetradecane-1,3,10,13-tetrol?
The canonical SMILES for 10,13-dimethyltetradecane-1,3,10,13-tetrol is CC(C)(O)CCC(C)(O)CCCCCCC(O)CCO.
What is the InChIKey of 10,13-dimethyltetradecane-1,3,10,13-tetrol?
The InChIKey is LCGDAXBLCOZOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4/c1-15(2,19)11-12-16(3,20)10-7-5-4-6-8-14(18)9-13-17/h14,17-20H,4-13H2,1-3H3.
What are the key properties of 10,13-dimethyltetradecane-1,3,10,13-tetrol?
10,13-dimethyltetradecane-1,3,10,13-tetrol has a molecular weight of 290.44 g/mol, XLogP of 2.37, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,13-dimethyltetradecane-1,3,10,13-tetrol is sourced from PubChem (CID 88708863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).