(3R)-3-methylhexacosane

C27H56 — CID 134824557

IUPAC(3R)-3-methylhexacosane
SMILESCCCCCCCCCCCCCCCCCCCCCCC[C@H](C)CC
InChIInChI=1S/C27H56/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(3)5-2/h27H,4-26H2,1-3H3/t27-/m1/s1
InChIKeyYMQJCTWHHRBBQA-HHHXNRCGSA-N
MW380.75 g/mol
LogP10.63
Rot. Bonds23

About (3R)-3-methylhexacosane

(3R)-3-methylhexacosane (PubChem CID 134824557) has the molecular formula C27H56 and a molecular weight of 380.75 g/mol. Its IUPAC name is (3R)-3-methylhexacosane.

Molecular Properties

Compound Name(3R)-3-methylhexacosane
PubChem CID134824557
Molecular FormulaC27H56
Molecular Weight380.75 g/mol
Exact Mass380.44
IUPAC Name(3R)-3-methylhexacosane
SMILESCCCCCCCCCCCCCCCCCCCCCCC[C@H](C)CC
InChIInChI=1S/C27H56/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(3)5-2/h27H,4-26H2,1-3H3/t27-/m1/s1
InChIKeyYMQJCTWHHRBBQA-HHHXNRCGSA-N
XLogP10.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.75
LogP ≤ 510.63
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

hexane;3-methylnonane
CID 173294071
(3R)-3-methyloctadecane
CID 98094048
3-methyldodecane
CID 28469
(3R)-3-methyltetracosane
CID 162842417
3,17-dimethylheptatriacontane
CID 6431061
3,13-dimethyltritriacontane
CID 6431058
3,13,19-trimethylheptatriacontane
CID 172565400
3,17-dimethylhentriacontane
CID 6431060
(3R,11S)-3,11-dimethyltricosane
CID 163011810
methane;3-methyltridecane
CID 161019087
azane;3-methylnonane
CID 88699159
3,14-dimethylhexacosane
CID 91515224

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methylhexacosane?
The IUPAC name of (3R)-3-methylhexacosane (CID 134824557) is (3R)-3-methylhexacosane.
What is the SMILES notation for (3R)-3-methylhexacosane?
The canonical SMILES for (3R)-3-methylhexacosane is CCCCCCCCCCCCCCCCCCCCCCC[C@H](C)CC.
What is the InChIKey of (3R)-3-methylhexacosane?
The InChIKey is YMQJCTWHHRBBQA-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H56/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(3)5-2/h27H,4-26H2,1-3H3/t27-/m1/s1.
What are the key properties of (3R)-3-methylhexacosane?
(3R)-3-methylhexacosane has a molecular weight of 380.75 g/mol, XLogP of 10.63, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methylhexacosane is sourced from PubChem (CID 134824557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).