3,7,11,15-tetramethylhexadecane-1,2,3-triol

C20H42O3 — CID 3018525

IUPAC3,7,11,15-tetramethylhexadecane-1,2,3-triol
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)(O)C(O)CO
InChIInChI=1S/C20H42O3/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-20(5,23)19(22)15-21/h16-19,21-23H,6-15H2,1-5H3
InChIKeyCGIHFIDULQUVJG-UHFFFAOYSA-N
MW330.55 g/mol
LogP4.53
Rot. Bonds14

About 3,7,11,15-tetramethylhexadecane-1,2,3-triol

3,7,11,15-tetramethylhexadecane-1,2,3-triol (PubChem CID 3018525) has the molecular formula C20H42O3 and a molecular weight of 330.55 g/mol. Its IUPAC name is 3,7,11,15-tetramethylhexadecane-1,2,3-triol.

Molecular Properties

Compound Name3,7,11,15-tetramethylhexadecane-1,2,3-triol
PubChem CID3018525
Molecular FormulaC20H42O3
Molecular Weight330.55 g/mol
Exact Mass330.31
IUPAC Name3,7,11,15-tetramethylhexadecane-1,2,3-triol
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)(O)C(O)CO
InChIInChI=1S/C20H42O3/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-20(5,23)19(22)15-21/h16-19,21-23H,6-15H2,1-5H3
InChIKeyCGIHFIDULQUVJG-UHFFFAOYSA-N
XLogP4.53
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.55
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7,11,15-tetramethylhexadecane-1,2,3-triol?
The IUPAC name of 3,7,11,15-tetramethylhexadecane-1,2,3-triol (CID 3018525) is 3,7,11,15-tetramethylhexadecane-1,2,3-triol.
What is the SMILES notation for 3,7,11,15-tetramethylhexadecane-1,2,3-triol?
The canonical SMILES for 3,7,11,15-tetramethylhexadecane-1,2,3-triol is CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C(O)CO.
What is the InChIKey of 3,7,11,15-tetramethylhexadecane-1,2,3-triol?
The InChIKey is CGIHFIDULQUVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O3/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-20(5,23)19(22)15-21/h16-19,21-23H,6-15H2,1-5H3.
What are the key properties of 3,7,11,15-tetramethylhexadecane-1,2,3-triol?
3,7,11,15-tetramethylhexadecane-1,2,3-triol has a molecular weight of 330.55 g/mol, XLogP of 4.53, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11,15-tetramethylhexadecane-1,2,3-triol is sourced from PubChem (CID 3018525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).