2,2,6,6-tetramethyl-5-methylidenehept-3-yne

C12H20 — CID 11829782

IUPAC2,2,6,6-tetramethyl-5-methylidenehept-3-yne
SMILESC=C(C#CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H20/c1-10(12(5,6)7)8-9-11(2,3)4/h1H2,2-7H3
InChIKeyIHLVBHSDYMPZPT-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.64
Rot. Bonds

About 2,2,6,6-tetramethyl-5-methylidenehept-3-yne

2,2,6,6-tetramethyl-5-methylidenehept-3-yne (PubChem CID 11829782) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-5-methylidenehept-3-yne.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-5-methylidenehept-3-yne
PubChem CID11829782
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name2,2,6,6-tetramethyl-5-methylidenehept-3-yne
SMILESC=C(C#CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H20/c1-10(12(5,6)7)8-9-11(2,3)4/h1H2,2-7H3
InChIKeyIHLVBHSDYMPZPT-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4,4-Dimethyl-3-methylidenepent-1-yne
CID 564356
1,3,6,8,13,15,18,20-Octatert-butylcyclotetracosa-1,2,6,7,13,14,18,19-octaen-4,9,11,16,21,23-hexayne
CID 12167050
5,5-Dimethyl-4-methylidenehex-2-yne
CID 85774201
3,5-Ditert-butylhepta-3,4-dien-1,6-diyne
CID 101913958
3-(1,1-Dimethylethyl) hex-2-en-4-yne
CID 129768814
Trimethyl-silylisopropenylacetylene
CID 129811555
1-Hexen-3-yne, 2-tert-butyl-
CID 556262
4,4,9-Trimethyldeca-1,7,8-trien-5-yne
CID 102235022
3,3,8,8-Tetramethyldeca-1,9-dien-5-yne
CID 132571572
6,6-Dimethyl-5-methylidenehept-1-en-3-yne
CID 21450649
2,3,3-Trimethylpent-1-en-4-yne
CID 23186459
4,4,5,5-Tetramethylocta-1,2-dien-6-yne
CID 57318558

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-5-methylidenehept-3-yne?
The IUPAC name of 2,2,6,6-tetramethyl-5-methylidenehept-3-yne (CID 11829782) is 2,2,6,6-tetramethyl-5-methylidenehept-3-yne.
What is the SMILES notation for 2,2,6,6-tetramethyl-5-methylidenehept-3-yne?
The canonical SMILES for 2,2,6,6-tetramethyl-5-methylidenehept-3-yne is C=C(C#CC(C)(C)C)C(C)(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-5-methylidenehept-3-yne?
The InChIKey is IHLVBHSDYMPZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-10(12(5,6)7)8-9-11(2,3)4/h1H2,2-7H3.
What are the key properties of 2,2,6,6-tetramethyl-5-methylidenehept-3-yne?
2,2,6,6-tetramethyl-5-methylidenehept-3-yne has a molecular weight of 164.29 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-5-methylidenehept-3-yne is sourced from PubChem (CID 11829782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).