(3S,7S,11S,15S)-3,7,11,15-tetramethyldocosan-1-ol

C26H54O — CID 71733863

IUPAC(3S,7S,11S,15S)-3,7,11,15-tetramethyldocosan-1-ol
SMILESCCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCO
InChIInChI=1S/C26H54O/c1-6-7-8-9-10-14-23(2)15-11-16-24(3)17-12-18-25(4)19-13-20-26(5)21-22-27/h23-27H,6-22H2,1-5H3/t23-,24-,25-,26-/m0/s1
InChIKeyLYRFDLHWEDVZDN-CQJMVLFOSA-N
MW382.72 g/mol
LogP8.78
Rot. Bonds20

About (3S,7S,11S,15S)-3,7,11,15-tetramethyldocosan-1-ol

(3S,7S,11S,15S)-3,7,11,15-tetramethyldocosan-1-ol (PubChem CID 71733863) has the molecular formula C26H54O and a molecular weight of 382.72 g/mol. Its IUPAC name is (3S,7S,11S,15S)-3,7,11,15-tetramethyldocosan-1-ol.

Molecular Properties

Compound Name(3S,7S,11S,15S)-3,7,11,15-tetramethyldocosan-1-ol
PubChem CID71733863
Molecular FormulaC26H54O
Molecular Weight382.72 g/mol
Exact Mass382.42
IUPAC Name(3S,7S,11S,15S)-3,7,11,15-tetramethyldocosan-1-ol
SMILESCCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCO
InChIInChI=1S/C26H54O/c1-6-7-8-9-10-14-23(2)15-11-16-24(3)17-12-18-25(4)19-13-20-26(5)21-22-27/h23-27H,6-22H2,1-5H3/t23-,24-,25-,26-/m0/s1
InChIKeyLYRFDLHWEDVZDN-CQJMVLFOSA-N
XLogP8.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.72
LogP ≤ 58.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-methylnonacosan-1-ol
CID 10836783
6-methylhexadecan-1-ol
CID 22027437
10-methylhexadecan-1-ol
CID 10244159
7-methylpentadecan-1-ol
CID 18427312
9-methylhexadecan-1-ol
CID 22027455
(6S)-6-methyloctadecan-1-ol
CID 162994676
11,15-dimethyloctacosane
CID 71367376
9,13-dimethylnonacosane
CID 6430077
15,19-dimethylpentatriacontane
CID 521781
7,11-dimethylpentatriacontane
CID 6430674
8,12,20-trimethyltetracontane
CID 6430679
(15R,19S)-15,19-dimethylheptatriacontane
CID 162889716

Frequently Asked Questions

What is the IUPAC name of (3S,7S,11S,15S)-3,7,11,15-tetramethyldocosan-1-ol?
The IUPAC name of (3S,7S,11S,15S)-3,7,11,15-tetramethyldocosan-1-ol (CID 71733863) is (3S,7S,11S,15S)-3,7,11,15-tetramethyldocosan-1-ol.
What is the SMILES notation for (3S,7S,11S,15S)-3,7,11,15-tetramethyldocosan-1-ol?
The canonical SMILES for (3S,7S,11S,15S)-3,7,11,15-tetramethyldocosan-1-ol is CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCO.
What is the InChIKey of (3S,7S,11S,15S)-3,7,11,15-tetramethyldocosan-1-ol?
The InChIKey is LYRFDLHWEDVZDN-CQJMVLFOSA-N. The full InChI is InChI=1S/C26H54O/c1-6-7-8-9-10-14-23(2)15-11-16-24(3)17-12-18-25(4)19-13-20-26(5)21-22-27/h23-27H,6-22H2,1-5H3/t23-,24-,25-,26-/m0/s1.
What are the key properties of (3S,7S,11S,15S)-3,7,11,15-tetramethyldocosan-1-ol?
(3S,7S,11S,15S)-3,7,11,15-tetramethyldocosan-1-ol has a molecular weight of 382.72 g/mol, XLogP of 8.78, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7S,11S,15S)-3,7,11,15-tetramethyldocosan-1-ol is sourced from PubChem (CID 71733863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).