2,2,3-trimethylundecane

C14H30 — CID 21285055

IUPAC2,2,3-trimethylundecane
SMILESCCCCCCCCC(C)C(C)(C)C
InChIInChI=1S/C14H30/c1-6-7-8-9-10-11-12-13(2)14(3,4)5/h13H,6-12H2,1-5H3
InChIKeyIANXAXNUNBAWBA-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.42
Rot. Bonds7

About 2,2,3-trimethylundecane

2,2,3-trimethylundecane (PubChem CID 21285055) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 2,2,3-trimethylundecane.

Molecular Properties

Compound Name2,2,3-trimethylundecane
PubChem CID21285055
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name2,2,3-trimethylundecane
SMILESCCCCCCCCC(C)C(C)(C)C
InChIInChI=1S/C14H30/c1-6-7-8-9-10-11-12-13(2)14(3,4)5/h13H,6-12H2,1-5H3
InChIKeyIANXAXNUNBAWBA-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
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

2,3,3,4-tetramethylnonadecane
CID 174953704
2,3-dimethyltridecane-2-thiol
CID 175066611
2-chloro-2,3-dimethyltridecane
CID 87222996
2-chloro-2,3-dimethylnonane
CID 87897655
2,3-dimethylhexadecan-2-amine
CID 87479269
2-iodo-2,3-dimethylnonane
CID 157257011
2,3-dimethylnonadecan-2-ylsilane
CID 175060938
3-methylheptadecane-2,2-diamine
CID 141040528
2,2,3,10-tetramethyldodecane
CID 123238890
2,3-dimethylnonan-2-amine;hydrofluoride
CID 173042328
2-(2,3-dimethyldecan-2-yloxy)-2,3-dimethyldecane
CID 18444100
2,3-dimethylnonan-2-ylphosphane;hydroiodide
CID 173158055

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethylundecane?
The IUPAC name of 2,2,3-trimethylundecane (CID 21285055) is 2,2,3-trimethylundecane.
What is the SMILES notation for 2,2,3-trimethylundecane?
The canonical SMILES for 2,2,3-trimethylundecane is CCCCCCCCC(C)C(C)(C)C.
What is the InChIKey of 2,2,3-trimethylundecane?
The InChIKey is IANXAXNUNBAWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-6-7-8-9-10-11-12-13(2)14(3,4)5/h13H,6-12H2,1-5H3.
What are the key properties of 2,2,3-trimethylundecane?
2,2,3-trimethylundecane has a molecular weight of 198.39 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethylundecane is sourced from PubChem (CID 21285055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).