6,6-dimethyl-5-methylidenehept-3-yne

C10H16 — CID 556262

IUPAC6,6-dimethyl-5-methylidenehept-3-yne
SMILESC=C(C#CCC)C(C)(C)C
InChIInChI=1S/C10H16/c1-6-7-8-9(2)10(3,4)5/h2,6H2,1,3-5H3
InChIKeyYWMTXPGYNISRAT-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.00
Rot. Bonds

About 6,6-dimethyl-5-methylidenehept-3-yne

6,6-dimethyl-5-methylidenehept-3-yne (PubChem CID 556262) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 6,6-dimethyl-5-methylidenehept-3-yne.

Molecular Properties

Compound Name6,6-dimethyl-5-methylidenehept-3-yne
PubChem CID556262
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name6,6-dimethyl-5-methylidenehept-3-yne
SMILESC=C(C#CCC)C(C)(C)C
InChIInChI=1S/C10H16/c1-6-7-8-9(2)10(3,4)5/h2,6H2,1,3-5H3
InChIKeyYWMTXPGYNISRAT-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.00
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
3-Heptyne, 2,2,6,6-tetramethyl-5-methylene-
CID 11829782
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
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 6,6-dimethyl-5-methylidenehept-3-yne?
The IUPAC name of 6,6-dimethyl-5-methylidenehept-3-yne (CID 556262) is 6,6-dimethyl-5-methylidenehept-3-yne.
What is the SMILES notation for 6,6-dimethyl-5-methylidenehept-3-yne?
The canonical SMILES for 6,6-dimethyl-5-methylidenehept-3-yne is C=C(C#CCC)C(C)(C)C.
What is the InChIKey of 6,6-dimethyl-5-methylidenehept-3-yne?
The InChIKey is YWMTXPGYNISRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-6-7-8-9(2)10(3,4)5/h2,6H2,1,3-5H3.
What are the key properties of 6,6-dimethyl-5-methylidenehept-3-yne?
6,6-dimethyl-5-methylidenehept-3-yne has a molecular weight of 136.24 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-5-methylidenehept-3-yne is sourced from PubChem (CID 556262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).