2,3-dimethylnonacosane

C31H64 — CID 71331945

IUPAC2,3-dimethylnonacosane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C(C)C
InChIInChI=1S/C31H64/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31(4)30(2)3/h30-31H,5-29H2,1-4H3
InChIKeyMNCPKWPHMGLTCN-UHFFFAOYSA-N
MW436.85 g/mol
LogP12.05
Rot. Bonds26

About 2,3-dimethylnonacosane

2,3-dimethylnonacosane (PubChem CID 71331945) has the molecular formula C31H64 and a molecular weight of 436.85 g/mol. Its IUPAC name is 2,3-dimethylnonacosane.

Molecular Properties

Compound Name2,3-dimethylnonacosane
PubChem CID71331945
Molecular FormulaC31H64
Molecular Weight436.85 g/mol
Exact Mass436.50
IUPAC Name2,3-dimethylnonacosane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C(C)C
InChIInChI=1S/C31H64/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31(4)30(2)3/h30-31H,5-29H2,1-4H3
InChIKeyMNCPKWPHMGLTCN-UHFFFAOYSA-N
XLogP12.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.85
LogP ≤ 512.05
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

2,3,14,15-tetramethylhenicosane
CID 123460288
(3S)-2,3-dimethylnonane;methane
CID 159246988
(3R,4S)-2,3,4-trimethyltriacontane
CID 162967573
11,12-dimethyltricosane
CID 173430605
11,12-dimethyloctacosane
CID 23345853
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
8,9-dimethylhexacosane
CID 160651612
alumane;2,3-dimethylheptane
CID 174508099
(3R)-2,3-dimethylheptane;ethane
CID 163241846
2,3-dimethylheptane;ethane
CID 156648444
4,5-dimethylnonadecane
CID 123321090

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylnonacosane?
The IUPAC name of 2,3-dimethylnonacosane (CID 71331945) is 2,3-dimethylnonacosane.
What is the SMILES notation for 2,3-dimethylnonacosane?
The canonical SMILES for 2,3-dimethylnonacosane is CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C(C)C.
What is the InChIKey of 2,3-dimethylnonacosane?
The InChIKey is MNCPKWPHMGLTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H64/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31(4)30(2)3/h30-31H,5-29H2,1-4H3.
What are the key properties of 2,3-dimethylnonacosane?
2,3-dimethylnonacosane has a molecular weight of 436.85 g/mol, XLogP of 12.05, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylnonacosane is sourced from PubChem (CID 71331945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).