3,7,11,15-tetramethylhexadecane-1,3-diol

C20H42O2 — CID 13072457

IUPAC3,7,11,15-tetramethylhexadecane-1,3-diol
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)(O)CCO
InChIInChI=1S/C20H42O2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5,22)15-16-21/h17-19,21-22H,6-16H2,1-5H3
InChIKeyJKFUUFBOTZPHOF-UHFFFAOYSA-N
MW314.55 g/mol
LogP5.56
Rot. Bonds14

About 3,7,11,15-tetramethylhexadecane-1,3-diol

3,7,11,15-tetramethylhexadecane-1,3-diol (PubChem CID 13072457) has the molecular formula C20H42O2 and a molecular weight of 314.55 g/mol. Its IUPAC name is 3,7,11,15-tetramethylhexadecane-1,3-diol.

Molecular Properties

Compound Name3,7,11,15-tetramethylhexadecane-1,3-diol
PubChem CID13072457
Molecular FormulaC20H42O2
Molecular Weight314.55 g/mol
Exact Mass314.32
IUPAC Name3,7,11,15-tetramethylhexadecane-1,3-diol
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)(O)CCO
InChIInChI=1S/C20H42O2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5,22)15-16-21/h17-19,21-22H,6-16H2,1-5H3
InChIKeyJKFUUFBOTZPHOF-UHFFFAOYSA-N
XLogP5.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.55
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7,11,15-tetramethylhexadecane-1,3-diol?
The IUPAC name of 3,7,11,15-tetramethylhexadecane-1,3-diol (CID 13072457) is 3,7,11,15-tetramethylhexadecane-1,3-diol.
What is the SMILES notation for 3,7,11,15-tetramethylhexadecane-1,3-diol?
The canonical SMILES for 3,7,11,15-tetramethylhexadecane-1,3-diol is CC(C)CCCC(C)CCCC(C)CCCC(C)(O)CCO.
What is the InChIKey of 3,7,11,15-tetramethylhexadecane-1,3-diol?
The InChIKey is JKFUUFBOTZPHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5,22)15-16-21/h17-19,21-22H,6-16H2,1-5H3.
What are the key properties of 3,7,11,15-tetramethylhexadecane-1,3-diol?
3,7,11,15-tetramethylhexadecane-1,3-diol has a molecular weight of 314.55 g/mol, XLogP of 5.56, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11,15-tetramethylhexadecane-1,3-diol is sourced from PubChem (CID 13072457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).