(2S)-24-methylpentacosane-1,2-diol

C26H54O2 — CID 162845743

IUPAC(2S)-24-methylpentacosane-1,2-diol
SMILESCC(C)CCCCCCCCCCCCCCCCCCCCC[C@H](O)CO
InChIInChI=1S/C26H54O2/c1-25(2)22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-26(28)24-27/h25-28H,3-24H2,1-2H3/t26-/m0/s1
InChIKeyUWSACIDHRLSDCW-SANMLTNESA-N
MW398.72 g/mol
LogP8.19
Rot. Bonds23

About (2S)-24-methylpentacosane-1,2-diol

(2S)-24-methylpentacosane-1,2-diol (PubChem CID 162845743) has the molecular formula C26H54O2 and a molecular weight of 398.72 g/mol. Its IUPAC name is (2S)-24-methylpentacosane-1,2-diol.

Molecular Properties

Compound Name(2S)-24-methylpentacosane-1,2-diol
PubChem CID162845743
Molecular FormulaC26H54O2
Molecular Weight398.72 g/mol
Exact Mass398.41
IUPAC Name(2S)-24-methylpentacosane-1,2-diol
SMILESCC(C)CCCCCCCCCCCCCCCCCCCCC[C@H](O)CO
InChIInChI=1S/C26H54O2/c1-25(2)22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-26(28)24-27/h25-28H,3-24H2,1-2H3/t26-/m0/s1
InChIKeyUWSACIDHRLSDCW-SANMLTNESA-N
XLogP8.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.72
LogP ≤ 58.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dodecane-1,2,11,12-tetrol
CID 71392430
17-methyloctadecane-1,11-diol
CID 91311361
triacontane-1,2-diol
CID 19770548
(2R)-nonadecane-1,2-diol
CID 124511707
(2R)-octane-1,2-diol
CID 6994435
(2R)-decane-1,2-diol
CID 10888425
octane-1,2-diol
CID 159791136
(3R)-10-methylundecan-3-ol
CID 164999222
decane-1,2,8-triol
CID 88722169
tricosane-1,2-diol
CID 42607324
(2S,8R)-8-methyldecane-1,2-diol
CID 11469535
CID 158891282
CID 158891282

Frequently Asked Questions

What is the IUPAC name of (2S)-24-methylpentacosane-1,2-diol?
The IUPAC name of (2S)-24-methylpentacosane-1,2-diol (CID 162845743) is (2S)-24-methylpentacosane-1,2-diol.
What is the SMILES notation for (2S)-24-methylpentacosane-1,2-diol?
The canonical SMILES for (2S)-24-methylpentacosane-1,2-diol is CC(C)CCCCCCCCCCCCCCCCCCCCC[C@H](O)CO.
What is the InChIKey of (2S)-24-methylpentacosane-1,2-diol?
The InChIKey is UWSACIDHRLSDCW-SANMLTNESA-N. The full InChI is InChI=1S/C26H54O2/c1-25(2)22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-26(28)24-27/h25-28H,3-24H2,1-2H3/t26-/m0/s1.
What are the key properties of (2S)-24-methylpentacosane-1,2-diol?
(2S)-24-methylpentacosane-1,2-diol has a molecular weight of 398.72 g/mol, XLogP of 8.19, 23 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-24-methylpentacosane-1,2-diol is sourced from PubChem (CID 162845743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).