11,12-dimethyloctacosane

C30H62 — CID 23345853

IUPAC11,12-dimethyloctacosane
SMILESCCCCCCCCCCCCCCCCC(C)C(C)CCCCCCCCCC
InChIInChI=1S/C30H62/c1-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30(4)29(3)27-25-23-21-14-12-10-8-6-2/h29-30H,5-28H2,1-4H3
InChIKeyUKNOSUOXTBZVNX-UHFFFAOYSA-N
MW422.83 g/mol
LogP11.66
Rot. Bonds25

About 11,12-dimethyloctacosane

11,12-dimethyloctacosane (PubChem CID 23345853) has the molecular formula C30H62 and a molecular weight of 422.83 g/mol. Its IUPAC name is 11,12-dimethyloctacosane.

Molecular Properties

Compound Name11,12-dimethyloctacosane
PubChem CID23345853
Molecular FormulaC30H62
Molecular Weight422.83 g/mol
Exact Mass422.49
IUPAC Name11,12-dimethyloctacosane
SMILESCCCCCCCCCCCCCCCCC(C)C(C)CCCCCCCCCC
InChIInChI=1S/C30H62/c1-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30(4)29(3)27-25-23-21-14-12-10-8-6-2/h29-30H,5-28H2,1-4H3
InChIKeyUKNOSUOXTBZVNX-UHFFFAOYSA-N
XLogP11.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
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

11,12-dimethyltricosane
CID 173430605
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
8,9-dimethylhexacosane
CID 160651612
4,5-dimethylnonadecane
CID 123321090
5,6,14,15-tetramethylnonadecane
CID 123473711
2,3,14,15-tetramethylhenicosane
CID 123460288
3,4-dimethyldecane;ethane
CID 170980289
2,3-dimethylnonacosane
CID 71331945
8,11,12-trimethyltricosane
CID 175564994
2,3-dimethylpentadecan-1-amine
CID 81010439
2,4,5-trimethyldodecane
CID 123969029

Frequently Asked Questions

What is the IUPAC name of 11,12-dimethyloctacosane?
The IUPAC name of 11,12-dimethyloctacosane (CID 23345853) is 11,12-dimethyloctacosane.
What is the SMILES notation for 11,12-dimethyloctacosane?
The canonical SMILES for 11,12-dimethyloctacosane is CCCCCCCCCCCCCCCCC(C)C(C)CCCCCCCCCC.
What is the InChIKey of 11,12-dimethyloctacosane?
The InChIKey is UKNOSUOXTBZVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62/c1-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30(4)29(3)27-25-23-21-14-12-10-8-6-2/h29-30H,5-28H2,1-4H3.
What are the key properties of 11,12-dimethyloctacosane?
11,12-dimethyloctacosane has a molecular weight of 422.83 g/mol, XLogP of 11.66, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-dimethyloctacosane is sourced from PubChem (CID 23345853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).