2-methyl-10,11-bis(8-methylnonyl)docosane

C43H88 — CID 173154476

IUPAC2-methyl-10,11-bis(8-methylnonyl)docosane
SMILESCCCCCCCCCCCC(CCCCCCCC(C)C)C(CCCCCCCC(C)C)CCCCCCCC(C)C
InChIInChI=1S/C43H88/c1-8-9-10-11-12-13-14-21-28-35-42(36-29-22-15-18-25-32-39(2)3)43(37-30-23-16-19-26-33-40(4)5)38-31-24-17-20-27-34-41(6)7/h39-43H,8-38H2,1-7H3
InChIKeyMWLADHPAGMKVDB-UHFFFAOYSA-N
MW605.18 g/mol
LogP16.30
Rot. Bonds35

About 2-methyl-10,11-bis(8-methylnonyl)docosane

2-methyl-10,11-bis(8-methylnonyl)docosane (PubChem CID 173154476) has the molecular formula C43H88 and a molecular weight of 605.18 g/mol. Its IUPAC name is 2-methyl-10,11-bis(8-methylnonyl)docosane.

Molecular Properties

Compound Name2-methyl-10,11-bis(8-methylnonyl)docosane
PubChem CID173154476
Molecular FormulaC43H88
Molecular Weight605.18 g/mol
Exact Mass604.69
IUPAC Name2-methyl-10,11-bis(8-methylnonyl)docosane
SMILESCCCCCCCCCCCC(CCCCCCCC(C)C)C(CCCCCCCC(C)C)CCCCCCCC(C)C
InChIInChI=1S/C43H88/c1-8-9-10-11-12-13-14-21-28-35-42(36-29-22-15-18-25-32-39(2)3)43(37-30-23-16-19-26-33-40(4)5)38-31-24-17-20-27-34-41(6)7/h39-43H,8-38H2,1-7H3
InChIKeyMWLADHPAGMKVDB-UHFFFAOYSA-N
XLogP16.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds35
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.18
LogP ≤ 516.30
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-methyltricosane;hydrate
CID 172783998
2-methylheptadecane;hydrobromide
CID 174866228
7,8-dihexylicosane
CID 21490611
9,10-dioctylhexacosane
CID 21470284

Frequently Asked Questions

What is the IUPAC name of 2-methyl-10,11-bis(8-methylnonyl)docosane?
The IUPAC name of 2-methyl-10,11-bis(8-methylnonyl)docosane (CID 173154476) is 2-methyl-10,11-bis(8-methylnonyl)docosane.
What is the SMILES notation for 2-methyl-10,11-bis(8-methylnonyl)docosane?
The canonical SMILES for 2-methyl-10,11-bis(8-methylnonyl)docosane is CCCCCCCCCCCC(CCCCCCCC(C)C)C(CCCCCCCC(C)C)CCCCCCCC(C)C.
What is the InChIKey of 2-methyl-10,11-bis(8-methylnonyl)docosane?
The InChIKey is MWLADHPAGMKVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H88/c1-8-9-10-11-12-13-14-21-28-35-42(36-29-22-15-18-25-32-39(2)3)43(37-30-23-16-19-26-33-40(4)5)38-31-24-17-20-27-34-41(6)7/h39-43H,8-38H2,1-7H3.
What are the key properties of 2-methyl-10,11-bis(8-methylnonyl)docosane?
2-methyl-10,11-bis(8-methylnonyl)docosane has a molecular weight of 605.18 g/mol, XLogP of 16.30, 35 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-10,11-bis(8-methylnonyl)docosane is sourced from PubChem (CID 173154476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).