2,2,9,9-tetramethyl-5,6-dimethylidenedeca-3,7-diyne

C16H22 — CID 134994842

IUPAC2,2,9,9-tetramethyl-5,6-dimethylidenedeca-3,7-diyne
SMILESC=C(C#CC(C)(C)C)C(=C)C#CC(C)(C)C
InChIInChI=1S/C16H22/c1-13(9-11-15(3,4)5)14(2)10-12-16(6,7)8/h1-2H2,3-8H3
InChIKeyUXDMBUWZSKYFAW-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.20
Rot. Bonds1

About 2,2,9,9-tetramethyl-5,6-dimethylidenedeca-3,7-diyne

2,2,9,9-tetramethyl-5,6-dimethylidenedeca-3,7-diyne (PubChem CID 134994842) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2,2,9,9-tetramethyl-5,6-dimethylidenedeca-3,7-diyne.

Molecular Properties

Compound Name2,2,9,9-tetramethyl-5,6-dimethylidenedeca-3,7-diyne
PubChem CID134994842
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name2,2,9,9-tetramethyl-5,6-dimethylidenedeca-3,7-diyne
SMILESC=C(C#CC(C)(C)C)C(=C)C#CC(C)(C)C
InChIInChI=1S/C16H22/c1-13(9-11-15(3,4)5)14(2)10-12-16(6,7)8/h1-2H2,3-8H3
InChIKeyUXDMBUWZSKYFAW-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,9,9-tetramethyl-5,6-dimethylidenedeca-3,7-diyne?
The IUPAC name of 2,2,9,9-tetramethyl-5,6-dimethylidenedeca-3,7-diyne (CID 134994842) is 2,2,9,9-tetramethyl-5,6-dimethylidenedeca-3,7-diyne.
What is the SMILES notation for 2,2,9,9-tetramethyl-5,6-dimethylidenedeca-3,7-diyne?
The canonical SMILES for 2,2,9,9-tetramethyl-5,6-dimethylidenedeca-3,7-diyne is C=C(C#CC(C)(C)C)C(=C)C#CC(C)(C)C.
What is the InChIKey of 2,2,9,9-tetramethyl-5,6-dimethylidenedeca-3,7-diyne?
The InChIKey is UXDMBUWZSKYFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-13(9-11-15(3,4)5)14(2)10-12-16(6,7)8/h1-2H2,3-8H3.
What are the key properties of 2,2,9,9-tetramethyl-5,6-dimethylidenedeca-3,7-diyne?
2,2,9,9-tetramethyl-5,6-dimethylidenedeca-3,7-diyne has a molecular weight of 214.35 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,9,9-tetramethyl-5,6-dimethylidenedeca-3,7-diyne is sourced from PubChem (CID 134994842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).