(3R,11S)-3,11-dimethyltricosane

C25H52 — CID 163011810

IUPAC(3R,11S)-3,11-dimethyltricosane
SMILESCCCCCCCCCCCC[C@H](C)CCCCCCC[C@H](C)CC
InChIInChI=1S/C25H52/c1-5-7-8-9-10-11-12-13-15-19-22-25(4)23-20-17-14-16-18-21-24(3)6-2/h24-25H,5-23H2,1-4H3/t24-,25+/m1/s1
InChIKeyDOKZTNHNVIATRD-RPBOFIJWSA-N
MW352.69 g/mol
LogP9.71
Rot. Bonds20

About (3R,11S)-3,11-dimethyltricosane

(3R,11S)-3,11-dimethyltricosane (PubChem CID 163011810) has the molecular formula C25H52 and a molecular weight of 352.69 g/mol. Its IUPAC name is (3R,11S)-3,11-dimethyltricosane.

Molecular Properties

Compound Name(3R,11S)-3,11-dimethyltricosane
PubChem CID163011810
Molecular FormulaC25H52
Molecular Weight352.69 g/mol
Exact Mass352.41
IUPAC Name(3R,11S)-3,11-dimethyltricosane
SMILESCCCCCCCCCCCC[C@H](C)CCCCCCC[C@H](C)CC
InChIInChI=1S/C25H52/c1-5-7-8-9-10-11-12-13-15-19-22-25(4)23-20-17-14-16-18-21-24(3)6-2/h24-25H,5-23H2,1-4H3/t24-,25+/m1/s1
InChIKeyDOKZTNHNVIATRD-RPBOFIJWSA-N
XLogP9.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.69
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,17-dimethylheptatriacontane
CID 6431061
3,13-dimethyltritriacontane
CID 6431058
3,13,19-trimethylheptatriacontane
CID 172565400
3,17-dimethylhentriacontane
CID 6431060
3,14-dimethylhexacosane
CID 91515224
3,7,15-trimethylnonacosane
CID 6430417
3,9,13,27-tetramethylhentetracontane
CID 6430636
3,7,11,15-tetramethylpentatriacontane
CID 6431066
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
3-methyldodecane
CID 28469

Frequently Asked Questions

What is the IUPAC name of (3R,11S)-3,11-dimethyltricosane?
The IUPAC name of (3R,11S)-3,11-dimethyltricosane (CID 163011810) is (3R,11S)-3,11-dimethyltricosane.
What is the SMILES notation for (3R,11S)-3,11-dimethyltricosane?
The canonical SMILES for (3R,11S)-3,11-dimethyltricosane is CCCCCCCCCCCC[C@H](C)CCCCCCC[C@H](C)CC.
What is the InChIKey of (3R,11S)-3,11-dimethyltricosane?
The InChIKey is DOKZTNHNVIATRD-RPBOFIJWSA-N. The full InChI is InChI=1S/C25H52/c1-5-7-8-9-10-11-12-13-15-19-22-25(4)23-20-17-14-16-18-21-24(3)6-2/h24-25H,5-23H2,1-4H3/t24-,25+/m1/s1.
What are the key properties of (3R,11S)-3,11-dimethyltricosane?
(3R,11S)-3,11-dimethyltricosane has a molecular weight of 352.69 g/mol, XLogP of 9.71, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,11S)-3,11-dimethyltricosane is sourced from PubChem (CID 163011810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).