3,5-dimethylpentacosane

C27H56 — CID 86177199

IUPAC3,5-dimethylpentacosane
SMILESCCCCCCCCCCCCCCCCCCCCC(C)CC(C)CC
InChIInChI=1S/C27H56/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(4)25-26(3)6-2/h26-27H,5-25H2,1-4H3
InChIKeyPRWCBWFFISKKEZ-UHFFFAOYSA-N
MW380.75 g/mol
LogP10.49
Rot. Bonds22

About 3,5-dimethylpentacosane

3,5-dimethylpentacosane (PubChem CID 86177199) has the molecular formula C27H56 and a molecular weight of 380.75 g/mol. Its IUPAC name is 3,5-dimethylpentacosane.

Molecular Properties

Compound Name3,5-dimethylpentacosane
PubChem CID86177199
Molecular FormulaC27H56
Molecular Weight380.75 g/mol
Exact Mass380.44
IUPAC Name3,5-dimethylpentacosane
SMILESCCCCCCCCCCCCCCCCCCCCC(C)CC(C)CC
InChIInChI=1S/C27H56/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(4)25-26(3)6-2/h26-27H,5-25H2,1-4H3
InChIKeyPRWCBWFFISKKEZ-UHFFFAOYSA-N
XLogP10.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.75
LogP ≤ 510.49
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

6,8-dimethylhexadecane
CID 91185725
3,9-dimethylnonadecane;hexadecane;3,15,17-trimethylicosane
CID 161458524
(4R,6S)-4,6-dimethyldodecane
CID 162976966
15,19,21-trimethylheptatriacontane
CID 20837834
5,15,17-trimethylpentatriacontane
CID 172565406
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
hexane;3-methylnonane
CID 173294071
3-methyldodecane
CID 28469
(3R)-3-methyltetracosane
CID 162842417
2,24,26-trimethyldotetracontane
CID 91249721
3,9,11-trimethyltetradecane
CID 158626683

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylpentacosane?
The IUPAC name of 3,5-dimethylpentacosane (CID 86177199) is 3,5-dimethylpentacosane.
What is the SMILES notation for 3,5-dimethylpentacosane?
The canonical SMILES for 3,5-dimethylpentacosane is CCCCCCCCCCCCCCCCCCCCC(C)CC(C)CC.
What is the InChIKey of 3,5-dimethylpentacosane?
The InChIKey is PRWCBWFFISKKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(4)25-26(3)6-2/h26-27H,5-25H2,1-4H3.
What are the key properties of 3,5-dimethylpentacosane?
3,5-dimethylpentacosane has a molecular weight of 380.75 g/mol, XLogP of 10.49, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylpentacosane is sourced from PubChem (CID 86177199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).