(2S)-6,10,14,18-tetramethyl-3-(3,7,11,15-tetramethylhexadecyl)nonadecane-1,2,3-triol

C43H88O3 — CID 23400782

IUPAC(2S)-6,10,14,18-tetramethyl-3-(3,7,11,15-tetramethylhexadecyl)nonadecane-1,2,3-triol
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCC(O)(CCC(C)CCCC(C)CCCC(C)CCCC(C)C)[C@@H](O)CO
InChIInChI=1S/C43H88O3/c1-34(2)17-11-19-36(5)21-13-23-38(7)25-15-27-40(9)29-31-43(46,42(45)33-44)32-30-41(10)28-16-26-39(8)24-14-22-37(6)20-12-18-35(3)4/h34-42,44-46H,11-33H2,1-10H3/t36?,37?,38?,39?,40?,41?,42-,43?/m0/s1
InChIKeyVJLPMEKWQRLJRI-WGSOMVNASA-N
MW653.17 g/mol
LogP12.78
Rot. Bonds32

About (2S)-6,10,14,18-tetramethyl-3-(3,7,11,15-tetramethylhexadecyl)nonadecane-1,2,3-triol

(2S)-6,10,14,18-tetramethyl-3-(3,7,11,15-tetramethylhexadecyl)nonadecane-1,2,3-triol (PubChem CID 23400782) has the molecular formula C43H88O3 and a molecular weight of 653.17 g/mol. Its IUPAC name is (2S)-6,10,14,18-tetramethyl-3-(3,7,11,15-tetramethylhexadecyl)nonadecane-1,2,3-triol.

Molecular Properties

Compound Name(2S)-6,10,14,18-tetramethyl-3-(3,7,11,15-tetramethylhexadecyl)nonadecane-1,2,3-triol
PubChem CID23400782
Molecular FormulaC43H88O3
Molecular Weight653.17 g/mol
Exact Mass652.67
IUPAC Name(2S)-6,10,14,18-tetramethyl-3-(3,7,11,15-tetramethylhexadecyl)nonadecane-1,2,3-triol
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCC(O)(CCC(C)CCCC(C)CCCC(C)CCCC(C)C)[C@@H](O)CO
InChIInChI=1S/C43H88O3/c1-34(2)17-11-19-36(5)21-13-23-38(7)25-15-27-40(9)29-31-43(46,42(45)33-44)32-30-41(10)28-16-26-39(8)24-14-22-37(6)20-12-18-35(3)4/h34-42,44-46H,11-33H2,1-10H3/t36?,37?,38?,39?,40?,41?,42-,43?/m0/s1
InChIKeyVJLPMEKWQRLJRI-WGSOMVNASA-N
XLogP12.78
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds32
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.17
LogP ≤ 512.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-6,10,14,18-tetramethyl-3-(3,7,11,15-tetramethylhexadecyl)nonadecane-1,2,3-triol with MolForge

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Related Compounds

(2R,6R,10R)-2,6,10,14-tetramethylpentadecan-1-ol
CID 170847769
propane-1,2-diol;3,7,11,15-tetramethylhexadecane-1,1,1-triol
CID 174613323
(2S,6S)-6,10-dimethylundecan-2-ol
CID 92938997
CID 172712223
CID 172712223
3,7-dimethyloctan-1-ol
CID 7792
methane;2,2,5,9,13-pentamethyltetradecane
CID 159071940
5,9,13,17-tetramethyl-2-(3,7,11,15-tetramethylhexadecyl)octadecan-1-ol
CID 123449915
2,7,11-trimethyldodecan-4-ol
CID 162406276
3-ethyl-2,2,3,7,11-pentamethyldodecane
CID 166045645
2,5,9,13-tetramethyltetradecane
CID 58292409
3,7-dimethyloctan-1-ol;ethanol
CID 175190567
2,6,10,15,19,23-hexamethyltetracosane;16-methylheptadecan-1-ol
CID 174818152

Frequently Asked Questions

What is the IUPAC name of (2S)-6,10,14,18-tetramethyl-3-(3,7,11,15-tetramethylhexadecyl)nonadecane-1,2,3-triol?
The IUPAC name of (2S)-6,10,14,18-tetramethyl-3-(3,7,11,15-tetramethylhexadecyl)nonadecane-1,2,3-triol (CID 23400782) is (2S)-6,10,14,18-tetramethyl-3-(3,7,11,15-tetramethylhexadecyl)nonadecane-1,2,3-triol.
What is the SMILES notation for (2S)-6,10,14,18-tetramethyl-3-(3,7,11,15-tetramethylhexadecyl)nonadecane-1,2,3-triol?
The canonical SMILES for (2S)-6,10,14,18-tetramethyl-3-(3,7,11,15-tetramethylhexadecyl)nonadecane-1,2,3-triol is CC(C)CCCC(C)CCCC(C)CCCC(C)CCC(O)(CCC(C)CCCC(C)CCCC(C)CCCC(C)C)[C@@H](O)CO.
What is the InChIKey of (2S)-6,10,14,18-tetramethyl-3-(3,7,11,15-tetramethylhexadecyl)nonadecane-1,2,3-triol?
The InChIKey is VJLPMEKWQRLJRI-WGSOMVNASA-N. The full InChI is InChI=1S/C43H88O3/c1-34(2)17-11-19-36(5)21-13-23-38(7)25-15-27-40(9)29-31-43(46,42(45)33-44)32-30-41(10)28-16-26-39(8)24-14-22-37(6)20-12-18-35(3)4/h34-42,44-46H,11-33H2,1-10H3/t36?,37?,38?,39?,40?,41?,42-,43?/m0/s1.
What are the key properties of (2S)-6,10,14,18-tetramethyl-3-(3,7,11,15-tetramethylhexadecyl)nonadecane-1,2,3-triol?
(2S)-6,10,14,18-tetramethyl-3-(3,7,11,15-tetramethylhexadecyl)nonadecane-1,2,3-triol has a molecular weight of 653.17 g/mol, XLogP of 12.78, 32 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6,10,14,18-tetramethyl-3-(3,7,11,15-tetramethylhexadecyl)nonadecane-1,2,3-triol is sourced from PubChem (CID 23400782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).