3-ethyl-2,3-dimethyldecane

C14H30 — CID 57491701

IUPAC3-ethyl-2,3-dimethyldecane
SMILESCCCCCCCC(C)(CC)C(C)C
InChIInChI=1S/C14H30/c1-6-8-9-10-11-12-14(5,7-2)13(3)4/h13H,6-12H2,1-5H3
InChIKeyGRABSBWZYHKLKL-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.42
Rot. Bonds8

About 3-ethyl-2,3-dimethyldecane

3-ethyl-2,3-dimethyldecane (PubChem CID 57491701) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 3-ethyl-2,3-dimethyldecane.

Molecular Properties

Compound Name3-ethyl-2,3-dimethyldecane
PubChem CID57491701
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name3-ethyl-2,3-dimethyldecane
SMILESCCCCCCCC(C)(CC)C(C)C
InChIInChI=1S/C14H30/c1-6-8-9-10-11-12-14(5,7-2)13(3)4/h13H,6-12H2,1-5H3
InChIKeyGRABSBWZYHKLKL-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.42
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

3-ethyl-2,3-dimethylnonane
CID 57490996
6-methyl-6-propan-2-ylundecane
CID 87930599
(3S)-3-ethyl-2,3-dimethylhexane
CID 158040075
N,2-dimethyl-2-propan-2-yloctan-1-amine
CID 83159293
N-tert-butyl-2-methyl-2-propan-2-yldecan-1-amine
CID 83151435
4,6-diethyl-N,4,6-trimethyldodecan-5-amine
CID 91364063
4-ethyl-3,4-dimethylundecan-1-ol
CID 123259629
2-methyl-2-propan-2-yl-N-propyloctan-1-amine
CID 83159495
2,3-dimethyl-3-propan-2-yldodecane
CID 150435624
2,3,3-trimethyloctadecane
CID 90966938
N-tert-butyl-2-methyl-2-propan-2-ylheptan-1-amine
CID 83150707
3,3-diethyl-2-methyldodecane
CID 151072312

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,3-dimethyldecane?
The IUPAC name of 3-ethyl-2,3-dimethyldecane (CID 57491701) is 3-ethyl-2,3-dimethyldecane.
What is the SMILES notation for 3-ethyl-2,3-dimethyldecane?
The canonical SMILES for 3-ethyl-2,3-dimethyldecane is CCCCCCCC(C)(CC)C(C)C.
What is the InChIKey of 3-ethyl-2,3-dimethyldecane?
The InChIKey is GRABSBWZYHKLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-6-8-9-10-11-12-14(5,7-2)13(3)4/h13H,6-12H2,1-5H3.
What are the key properties of 3-ethyl-2,3-dimethyldecane?
3-ethyl-2,3-dimethyldecane has a molecular weight of 198.39 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,3-dimethyldecane is sourced from PubChem (CID 57491701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).