2,6,6-trimethyl-3-methylideneundecane

C15H30 — CID 123351712

IUPAC2,6,6-trimethyl-3-methylideneundecane
SMILESC=C(CCC(C)(C)CCCCC)C(C)C
InChIInChI=1S/C15H30/c1-7-8-9-11-15(5,6)12-10-14(4)13(2)3/h13H,4,7-12H2,1-3,5-6H3
InChIKeyQAVMMMHGNQBFAC-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.59
Rot. Bonds8

About 2,6,6-trimethyl-3-methylideneundecane

2,6,6-trimethyl-3-methylideneundecane (PubChem CID 123351712) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 2,6,6-trimethyl-3-methylideneundecane.

Molecular Properties

Compound Name2,6,6-trimethyl-3-methylideneundecane
PubChem CID123351712
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name2,6,6-trimethyl-3-methylideneundecane
SMILESC=C(CCC(C)(C)CCCCC)C(C)C
InChIInChI=1S/C15H30/c1-7-8-9-11-15(5,6)12-10-14(4)13(2)3/h13H,4,7-12H2,1-3,5-6H3
InChIKeyQAVMMMHGNQBFAC-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.59
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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Related Compounds

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3,3-dimethyloctan-1-ol
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N,2,2,9-tetramethyl-8-methylidene-N-propan-2-yldecan-1-amine
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7,7-dimethyldocosan-1-ol
CID 150860437
(3S)-2,3-dimethyloctan-3-ol
CID 25021578
4,4-dimethyldecan-2-ol
CID 19931322
4,7,7-trimethyldodec-3-ene
CID 123515373
2,3-dimethyltridecan-3-ol
CID 14591139
7,7-dimethyltridecan-2-one
CID 19931393
4,4-dimethyltridecan-1-amine
CID 172686024

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-3-methylideneundecane?
The IUPAC name of 2,6,6-trimethyl-3-methylideneundecane (CID 123351712) is 2,6,6-trimethyl-3-methylideneundecane.
What is the SMILES notation for 2,6,6-trimethyl-3-methylideneundecane?
The canonical SMILES for 2,6,6-trimethyl-3-methylideneundecane is C=C(CCC(C)(C)CCCCC)C(C)C.
What is the InChIKey of 2,6,6-trimethyl-3-methylideneundecane?
The InChIKey is QAVMMMHGNQBFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-7-8-9-11-15(5,6)12-10-14(4)13(2)3/h13H,4,7-12H2,1-3,5-6H3.
What are the key properties of 2,6,6-trimethyl-3-methylideneundecane?
2,6,6-trimethyl-3-methylideneundecane has a molecular weight of 210.40 g/mol, XLogP of 5.59, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-3-methylideneundecane is sourced from PubChem (CID 123351712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).