(3R)-3-methyltetracosane

C25H52 — CID 162842417

IUPAC(3R)-3-methyltetracosane
SMILESCCCCCCCCCCCCCCCCCCCCC[C@H](C)CC
InChIInChI=1S/C25H52/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(3)5-2/h25H,4-24H2,1-3H3/t25-/m1/s1
InChIKeyPIDMIARWXIPIMD-RUZDIDTESA-N
MW352.69 g/mol
LogP9.85
Rot. Bonds21

About (3R)-3-methyltetracosane

(3R)-3-methyltetracosane (PubChem CID 162842417) has the molecular formula C25H52 and a molecular weight of 352.69 g/mol. Its IUPAC name is (3R)-3-methyltetracosane.

Molecular Properties

Compound Name(3R)-3-methyltetracosane
PubChem CID162842417
Molecular FormulaC25H52
Molecular Weight352.69 g/mol
Exact Mass352.41
IUPAC Name(3R)-3-methyltetracosane
SMILESCCCCCCCCCCCCCCCCCCCCC[C@H](C)CC
InChIInChI=1S/C25H52/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(3)5-2/h25H,4-24H2,1-3H3/t25-/m1/s1
InChIKeyPIDMIARWXIPIMD-RUZDIDTESA-N
XLogP9.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.69
LogP ≤ 59.85
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-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
3-methyldodecane
CID 28469
3,13,19-trimethylheptatriacontane
CID 172565400
3,17-dimethylheptatriacontane
CID 6431061
3,13-dimethyltritriacontane
CID 6431058
methane;3-methyltridecane
CID 161019087
3,17-dimethylhentriacontane
CID 6431060
(3R,11S)-3,11-dimethyltricosane
CID 163011810
azane;3-methylnonane
CID 88699159
3,14-dimethylhexacosane
CID 91515224

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyltetracosane?
The IUPAC name of (3R)-3-methyltetracosane (CID 162842417) is (3R)-3-methyltetracosane.
What is the SMILES notation for (3R)-3-methyltetracosane?
The canonical SMILES for (3R)-3-methyltetracosane is CCCCCCCCCCCCCCCCCCCCC[C@H](C)CC.
What is the InChIKey of (3R)-3-methyltetracosane?
The InChIKey is PIDMIARWXIPIMD-RUZDIDTESA-N. The full InChI is InChI=1S/C25H52/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(3)5-2/h25H,4-24H2,1-3H3/t25-/m1/s1.
What are the key properties of (3R)-3-methyltetracosane?
(3R)-3-methyltetracosane has a molecular weight of 352.69 g/mol, XLogP of 9.85, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyltetracosane is sourced from PubChem (CID 162842417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).