15-methyl-3,7,11-tripropyloctadecanoic acid

C28H56O2 — CID 175258437

IUPAC15-methyl-3,7,11-tripropyloctadecanoic acid
SMILESCCCC(C)CCCC(CCC)CCCC(CCC)CCCC(CCC)CC(=O)O
InChIInChI=1S/C28H56O2/c1-6-13-24(5)17-10-18-25(14-7-2)19-11-20-26(15-8-3)21-12-22-27(16-9-4)23-28(29)30/h24-27H,6-23H2,1-5H3,(H,29,30)
InChIKeyHOCPLTRICXTGRP-UHFFFAOYSA-N
MW424.75 g/mol
LogP9.66
Rot. Bonds22

About 15-methyl-3,7,11-tripropyloctadecanoic acid

15-methyl-3,7,11-tripropyloctadecanoic acid (PubChem CID 175258437) has the molecular formula C28H56O2 and a molecular weight of 424.75 g/mol. Its IUPAC name is 15-methyl-3,7,11-tripropyloctadecanoic acid.

Molecular Properties

Compound Name15-methyl-3,7,11-tripropyloctadecanoic acid
PubChem CID175258437
Molecular FormulaC28H56O2
Molecular Weight424.75 g/mol
Exact Mass424.43
IUPAC Name15-methyl-3,7,11-tripropyloctadecanoic acid
SMILESCCCC(C)CCCC(CCC)CCCC(CCC)CCCC(CCC)CC(=O)O
InChIInChI=1S/C28H56O2/c1-6-13-24(5)17-10-18-25(14-7-2)19-11-20-26(15-8-3)21-12-22-27(16-9-4)23-28(29)30/h24-27H,6-23H2,1-5H3,(H,29,30)
InChIKeyHOCPLTRICXTGRP-UHFFFAOYSA-N
XLogP9.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.75
LogP ≤ 59.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,8-dimethylundecanoic acid
CID 25230729
3-tetradecyloctadecanoic acid
CID 18954670
10-methyl-6,15-dipropylicosane
CID 144641599
14-methyl-4,10-dipropylheptadecan-1-ol
CID 118203440
9-methyl-5-propyltetradecane
CID 59977731
(3S,4S)-3,4,8-trimethylhexadecanoic acid
CID 118342315
hexane-2,5-diol;3-hexylundecanoic acid
CID 87784320
(3S,5S)-3-(aminomethyl)-5-methyloctanoic acid
CID 57024808
3-heptylpentanedioic acid
CID 14574131
3-methyloctanoic acid
CID 5312327
3-(iodomethyl)hexanoic acid
CID 45358746
(3S,5R)-3,5-dimethyloctanoic acid
CID 175942531

Frequently Asked Questions

What is the IUPAC name of 15-methyl-3,7,11-tripropyloctadecanoic acid?
The IUPAC name of 15-methyl-3,7,11-tripropyloctadecanoic acid (CID 175258437) is 15-methyl-3,7,11-tripropyloctadecanoic acid.
What is the SMILES notation for 15-methyl-3,7,11-tripropyloctadecanoic acid?
The canonical SMILES for 15-methyl-3,7,11-tripropyloctadecanoic acid is CCCC(C)CCCC(CCC)CCCC(CCC)CCCC(CCC)CC(=O)O.
What is the InChIKey of 15-methyl-3,7,11-tripropyloctadecanoic acid?
The InChIKey is HOCPLTRICXTGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56O2/c1-6-13-24(5)17-10-18-25(14-7-2)19-11-20-26(15-8-3)21-12-22-27(16-9-4)23-28(29)30/h24-27H,6-23H2,1-5H3,(H,29,30).
What are the key properties of 15-methyl-3,7,11-tripropyloctadecanoic acid?
15-methyl-3,7,11-tripropyloctadecanoic acid has a molecular weight of 424.75 g/mol, XLogP of 9.66, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-3,7,11-tripropyloctadecanoic acid is sourced from PubChem (CID 175258437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).