(2S)-6,10,14,18-tetramethylnonadecane-1,2,3-triol

C23H48O3 — CID 118037631

IUPAC(2S)-6,10,14,18-tetramethylnonadecane-1,2,3-triol
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCC(O)[C@@H](O)CO
InChIInChI=1S/C23H48O3/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21(5)15-16-22(25)23(26)17-24/h18-26H,6-17H2,1-5H3/t19?,20?,21?,22?,23-/m0/s1
InChIKeyIKZKPYKTPBIPTP-IMOXWJRASA-N
MW372.63 g/mol
LogP5.56
Rot. Bonds17

About (2S)-6,10,14,18-tetramethylnonadecane-1,2,3-triol

(2S)-6,10,14,18-tetramethylnonadecane-1,2,3-triol (PubChem CID 118037631) has the molecular formula C23H48O3 and a molecular weight of 372.63 g/mol. Its IUPAC name is (2S)-6,10,14,18-tetramethylnonadecane-1,2,3-triol.

Molecular Properties

Compound Name(2S)-6,10,14,18-tetramethylnonadecane-1,2,3-triol
PubChem CID118037631
Molecular FormulaC23H48O3
Molecular Weight372.63 g/mol
Exact Mass372.36
IUPAC Name(2S)-6,10,14,18-tetramethylnonadecane-1,2,3-triol
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCC(O)[C@@H](O)CO
InChIInChI=1S/C23H48O3/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21(5)15-16-22(25)23(26)17-24/h18-26H,6-17H2,1-5H3/t19?,20?,21?,22?,23-/m0/s1
InChIKeyIKZKPYKTPBIPTP-IMOXWJRASA-N
XLogP5.56
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.63
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-6,10,14,18-tetramethylnonadecane-1,2,3-triol?
The IUPAC name of (2S)-6,10,14,18-tetramethylnonadecane-1,2,3-triol (CID 118037631) is (2S)-6,10,14,18-tetramethylnonadecane-1,2,3-triol.
What is the SMILES notation for (2S)-6,10,14,18-tetramethylnonadecane-1,2,3-triol?
The canonical SMILES for (2S)-6,10,14,18-tetramethylnonadecane-1,2,3-triol is CC(C)CCCC(C)CCCC(C)CCCC(C)CCC(O)[C@@H](O)CO.
What is the InChIKey of (2S)-6,10,14,18-tetramethylnonadecane-1,2,3-triol?
The InChIKey is IKZKPYKTPBIPTP-IMOXWJRASA-N. The full InChI is InChI=1S/C23H48O3/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21(5)15-16-22(25)23(26)17-24/h18-26H,6-17H2,1-5H3/t19?,20?,21?,22?,23-/m0/s1.
What are the key properties of (2S)-6,10,14,18-tetramethylnonadecane-1,2,3-triol?
(2S)-6,10,14,18-tetramethylnonadecane-1,2,3-triol has a molecular weight of 372.63 g/mol, XLogP of 5.56, 17 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-tetramethylnonadecane-1,2,3-triol is sourced from PubChem (CID 118037631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).