5,9,13,17-tetramethyl-2-(3,7,11,15-tetramethylhexadecyl)octadecan-1-ol

C42H86O — CID 123449915

IUPAC5,9,13,17-tetramethyl-2-(3,7,11,15-tetramethylhexadecyl)octadecan-1-ol
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCC(CO)CCC(C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C42H86O/c1-34(2)17-11-19-36(5)21-13-23-38(7)25-15-27-40(9)29-31-42(33-43)32-30-41(10)28-16-26-39(8)24-14-22-37(6)20-12-18-35(3)4/h34-43H,11-33H2,1-10H3
InChIKeyJUONLLQJLAYGQQ-UHFFFAOYSA-N
MW607.15 g/mol
LogP14.31
Rot. Bonds31

About 5,9,13,17-tetramethyl-2-(3,7,11,15-tetramethylhexadecyl)octadecan-1-ol

5,9,13,17-tetramethyl-2-(3,7,11,15-tetramethylhexadecyl)octadecan-1-ol (PubChem CID 123449915) has the molecular formula C42H86O and a molecular weight of 607.15 g/mol. Its IUPAC name is 5,9,13,17-tetramethyl-2-(3,7,11,15-tetramethylhexadecyl)octadecan-1-ol.

Molecular Properties

Compound Name5,9,13,17-tetramethyl-2-(3,7,11,15-tetramethylhexadecyl)octadecan-1-ol
PubChem CID123449915
Molecular FormulaC42H86O
Molecular Weight607.15 g/mol
Exact Mass606.67
IUPAC Name5,9,13,17-tetramethyl-2-(3,7,11,15-tetramethylhexadecyl)octadecan-1-ol
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCC(CO)CCC(C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C42H86O/c1-34(2)17-11-19-36(5)21-13-23-38(7)25-15-27-40(9)29-31-42(33-43)32-30-41(10)28-16-26-39(8)24-14-22-37(6)20-12-18-35(3)4/h34-43H,11-33H2,1-10H3
InChIKeyJUONLLQJLAYGQQ-UHFFFAOYSA-N
XLogP14.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds31
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.15
LogP ≤ 514.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5,9,13,17-tetramethyl-2-(3,7,11,15-tetramethylhexadecyl)octadecan-1-ol with MolForge

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Related Compounds

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2-(4-methylpentyl)propane-1,3-diol
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2,5,9,13-tetramethyltetradecane
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CID 172712223
3,7-dimethyloctan-1-ol
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2,6,10,15,19,23-hexamethyltetracosane;16-methylheptadecan-1-ol
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(2S,6S)-6,10-dimethylundecan-2-ol
CID 92938997
tris(3,7-dimethyloctan-1-ol);oxotungsten
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2,6-dimethylheptane-1,7-diol
CID 12653721
(2R,6R)-2,6-dimethylheptane-1,7-diol
CID 10534981

Frequently Asked Questions

What is the IUPAC name of 5,9,13,17-tetramethyl-2-(3,7,11,15-tetramethylhexadecyl)octadecan-1-ol?
The IUPAC name of 5,9,13,17-tetramethyl-2-(3,7,11,15-tetramethylhexadecyl)octadecan-1-ol (CID 123449915) is 5,9,13,17-tetramethyl-2-(3,7,11,15-tetramethylhexadecyl)octadecan-1-ol.
What is the SMILES notation for 5,9,13,17-tetramethyl-2-(3,7,11,15-tetramethylhexadecyl)octadecan-1-ol?
The canonical SMILES for 5,9,13,17-tetramethyl-2-(3,7,11,15-tetramethylhexadecyl)octadecan-1-ol is CC(C)CCCC(C)CCCC(C)CCCC(C)CCC(CO)CCC(C)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of 5,9,13,17-tetramethyl-2-(3,7,11,15-tetramethylhexadecyl)octadecan-1-ol?
The InChIKey is JUONLLQJLAYGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H86O/c1-34(2)17-11-19-36(5)21-13-23-38(7)25-15-27-40(9)29-31-42(33-43)32-30-41(10)28-16-26-39(8)24-14-22-37(6)20-12-18-35(3)4/h34-43H,11-33H2,1-10H3.
What are the key properties of 5,9,13,17-tetramethyl-2-(3,7,11,15-tetramethylhexadecyl)octadecan-1-ol?
5,9,13,17-tetramethyl-2-(3,7,11,15-tetramethylhexadecyl)octadecan-1-ol has a molecular weight of 607.15 g/mol, XLogP of 14.31, 31 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9,13,17-tetramethyl-2-(3,7,11,15-tetramethylhexadecyl)octadecan-1-ol is sourced from PubChem (CID 123449915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).