2,2-dimethyl-3-methylideneundecane

C14H28 — CID 14288227

IUPAC2,2-dimethyl-3-methylideneundecane
SMILESC=C(CCCCCCCC)C(C)(C)C
InChIInChI=1S/C14H28/c1-6-7-8-9-10-11-12-13(2)14(3,4)5/h2,6-12H2,1,3-5H3
InChIKeyINBRNRYQXOXHOZ-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.34
Rot. Bonds7

About 2,2-dimethyl-3-methylideneundecane

2,2-dimethyl-3-methylideneundecane (PubChem CID 14288227) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 2,2-dimethyl-3-methylideneundecane.

Molecular Properties

Compound Name2,2-dimethyl-3-methylideneundecane
PubChem CID14288227
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name2,2-dimethyl-3-methylideneundecane
SMILESC=C(CCCCCCCC)C(C)(C)C
InChIInChI=1S/C14H28/c1-6-7-8-9-10-11-12-13(2)14(3,4)5/h2,6-12H2,1,3-5H3
InChIKeyINBRNRYQXOXHOZ-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-methylideneundecane?
The IUPAC name of 2,2-dimethyl-3-methylideneundecane (CID 14288227) is 2,2-dimethyl-3-methylideneundecane.
What is the SMILES notation for 2,2-dimethyl-3-methylideneundecane?
The canonical SMILES for 2,2-dimethyl-3-methylideneundecane is C=C(CCCCCCCC)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-3-methylideneundecane?
The InChIKey is INBRNRYQXOXHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-6-7-8-9-10-11-12-13(2)14(3,4)5/h2,6-12H2,1,3-5H3.
What are the key properties of 2,2-dimethyl-3-methylideneundecane?
2,2-dimethyl-3-methylideneundecane has a molecular weight of 196.38 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-methylideneundecane is sourced from PubChem (CID 14288227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).