11-(2-methylheptan-2-yl)docosane

C30H62 — CID 57252514

IUPAC11-(2-methylheptan-2-yl)docosane
SMILESCCCCCCCCCCCC(CCCCCCCCCC)C(C)(C)CCCCC
InChIInChI=1S/C30H62/c1-6-9-12-14-16-18-20-22-24-27-29(30(4,5)28-25-11-8-3)26-23-21-19-17-15-13-10-7-2/h29H,6-28H2,1-5H3
InChIKeyVZWPFHCJBYOIGV-UHFFFAOYSA-N
MW422.83 g/mol
LogP11.66
Rot. Bonds24

About 11-(2-methylheptan-2-yl)docosane

11-(2-methylheptan-2-yl)docosane (PubChem CID 57252514) has the molecular formula C30H62 and a molecular weight of 422.83 g/mol. Its IUPAC name is 11-(2-methylheptan-2-yl)docosane.

Molecular Properties

Compound Name11-(2-methylheptan-2-yl)docosane
PubChem CID57252514
Molecular FormulaC30H62
Molecular Weight422.83 g/mol
Exact Mass422.49
IUPAC Name11-(2-methylheptan-2-yl)docosane
SMILESCCCCCCCCCCCC(CCCCCCCCCC)C(C)(C)CCCCC
InChIInChI=1S/C30H62/c1-6-9-12-14-16-18-20-22-24-27-29(30(4,5)28-25-11-8-3)26-23-21-19-17-15-13-10-7-2/h29H,6-28H2,1-5H3
InChIKeyVZWPFHCJBYOIGV-UHFFFAOYSA-N
XLogP11.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.83
LogP ≤ 511.66
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-(4,4-difluorobutyl)-5,5-dimethylundecane
CID 88795161
14-hexyl-13-(2-methylundecan-2-yl)triacontane
CID 19962270
1-ethoxy-5,5-dimethyl-4-propylundecane
CID 130434070
20-heptadecyl-19-hexadecyl-20-octadecylnonatriacontane
CID 91224963
9-(2-chloropropan-2-yl)heptacosane
CID 151482832
9-(2-chloropropan-2-yl)heptadecane
CID 151028033
9-tert-butylhenicosane
CID 150708915
azane;9-butyl-8-chloro-8-heptylhexadecane
CID 88840241
2,3,3-trimethyloctadecane
CID 90966938
9,10-dioctyloctadecan-9-ylphosphane
CID 18997725
8,9-diheptylhenicosan-8-amine
CID 87777524
9-octyl-10-pentyloctadecan-9-amine
CID 87446758

Frequently Asked Questions

What is the IUPAC name of 11-(2-methylheptan-2-yl)docosane?
The IUPAC name of 11-(2-methylheptan-2-yl)docosane (CID 57252514) is 11-(2-methylheptan-2-yl)docosane.
What is the SMILES notation for 11-(2-methylheptan-2-yl)docosane?
The canonical SMILES for 11-(2-methylheptan-2-yl)docosane is CCCCCCCCCCCC(CCCCCCCCCC)C(C)(C)CCCCC.
What is the InChIKey of 11-(2-methylheptan-2-yl)docosane?
The InChIKey is VZWPFHCJBYOIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62/c1-6-9-12-14-16-18-20-22-24-27-29(30(4,5)28-25-11-8-3)26-23-21-19-17-15-13-10-7-2/h29H,6-28H2,1-5H3.
What are the key properties of 11-(2-methylheptan-2-yl)docosane?
11-(2-methylheptan-2-yl)docosane has a molecular weight of 422.83 g/mol, XLogP of 11.66, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-methylheptan-2-yl)docosane is sourced from PubChem (CID 57252514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).