3,4-dimethyldecane;ethane

C14H32 — CID 170980289

IUPAC3,4-dimethyldecane;ethane
SMILESCC.CCCCCCC(C)C(C)CC
InChIInChI=1S/C12H26.C2H6/c1-5-7-8-9-10-12(4)11(3)6-2;1-2/h11-12H,5-10H2,1-4H3;1-2H3
InChIKeyILHSWCDCVDOUFY-UHFFFAOYSA-N
MW200.41 g/mol
LogP5.67
Rot. Bonds7

About 3,4-dimethyldecane;ethane

3,4-dimethyldecane;ethane (PubChem CID 170980289) has the molecular formula C14H32 and a molecular weight of 200.41 g/mol. Its IUPAC name is 3,4-dimethyldecane;ethane.

Molecular Properties

Compound Name3,4-dimethyldecane;ethane
PubChem CID170980289
Molecular FormulaC14H32
Molecular Weight200.41 g/mol
Exact Mass200.25
IUPAC Name3,4-dimethyldecane;ethane
SMILESCC.CCCCCCC(C)C(C)CC
InChIInChI=1S/C12H26.C2H6/c1-5-7-8-9-10-12(4)11(3)6-2;1-2/h11-12H,5-10H2,1-4H3;1-2H3
InChIKeyILHSWCDCVDOUFY-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500200.41
LogP ≤ 55.67
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
11,12-dimethyloctacosane
CID 23345853
8,9-dimethylhexacosane
CID 160651612
4,5-dimethylnonadecane
CID 123321090
5,6,14,15-tetramethylnonadecane
CID 123473711
3,4-dimethyloctane;ethane;ethene;propane
CID 142827223
3,4,5-trimethyltridecane
CID 21201053
2,3,14,15-tetramethylhenicosane
CID 123460288
3,4,7-trimethyldodecane
CID 123406738
3,4,11-trimethyltridecane
CID 123211760

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyldecane;ethane?
The IUPAC name of 3,4-dimethyldecane;ethane (CID 170980289) is 3,4-dimethyldecane;ethane.
What is the SMILES notation for 3,4-dimethyldecane;ethane?
The canonical SMILES for 3,4-dimethyldecane;ethane is CC.CCCCCCC(C)C(C)CC.
What is the InChIKey of 3,4-dimethyldecane;ethane?
The InChIKey is ILHSWCDCVDOUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26.C2H6/c1-5-7-8-9-10-12(4)11(3)6-2;1-2/h11-12H,5-10H2,1-4H3;1-2H3.
What are the key properties of 3,4-dimethyldecane;ethane?
3,4-dimethyldecane;ethane has a molecular weight of 200.41 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyldecane;ethane is sourced from PubChem (CID 170980289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).