2-methyltricosane;hydrate

C24H52O — CID 172783998

IUPAC2-methyltricosane;hydrate
SMILESCCCCCCCCCCCCCCCCCCCCCC(C)C.O
InChIInChI=1S/C24H50.H2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2)3;/h24H,4-23H2,1-3H3;1H2
InChIKeyUJVOWGAGMQPSMN-UHFFFAOYSA-N
MW356.68 g/mol
LogP8.64
Rot. Bonds20

About 2-methyltricosane;hydrate

2-methyltricosane;hydrate (PubChem CID 172783998) has the molecular formula C24H52O and a molecular weight of 356.68 g/mol. Its IUPAC name is 2-methyltricosane;hydrate.

Molecular Properties

Compound Name2-methyltricosane;hydrate
PubChem CID172783998
Molecular FormulaC24H52O
Molecular Weight356.68 g/mol
Exact Mass356.40
IUPAC Name2-methyltricosane;hydrate
SMILESCCCCCCCCCCCCCCCCCCCCCC(C)C.O
InChIInChI=1S/C24H50.H2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2)3;/h24H,4-23H2,1-3H3;1H2
InChIKeyUJVOWGAGMQPSMN-UHFFFAOYSA-N
XLogP8.64
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.68
LogP ≤ 58.64
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

2-methylpentaoctacontane
CID 90745672
2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207
2-methyloctacosane
CID 519147
alumane;2-methyldecane
CID 174844655
azane;2-methyloctadecane
CID 175414560
2-methylnonane;heptahydrofluoride
CID 160801749
methane;2-methylicosane
CID 157337652
2-methylheptadecane;hydrobromide
CID 174866228
ethane;2-methyloctane;pentane
CID 144527652
2-methylbutane;2-methyltridecane
CID 54106775
mercury;2-methylheptane
CID 175108338

Frequently Asked Questions

What is the IUPAC name of 2-methyltricosane;hydrate?
The IUPAC name of 2-methyltricosane;hydrate (CID 172783998) is 2-methyltricosane;hydrate.
What is the SMILES notation for 2-methyltricosane;hydrate?
The canonical SMILES for 2-methyltricosane;hydrate is CCCCCCCCCCCCCCCCCCCCCC(C)C.O.
What is the InChIKey of 2-methyltricosane;hydrate?
The InChIKey is UJVOWGAGMQPSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50.H2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2)3;/h24H,4-23H2,1-3H3;1H2.
What are the key properties of 2-methyltricosane;hydrate?
2-methyltricosane;hydrate has a molecular weight of 356.68 g/mol, XLogP of 8.64, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyltricosane;hydrate is sourced from PubChem (CID 172783998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).