2,6-dimethyl-5-methylidenehepta-1,6-dien-3-yne

C10H12 — CID 11309529

IUPAC2,6-dimethyl-5-methylidenehepta-1,6-dien-3-yne
SMILESC=C(C)C#CC(=C)C(=C)C
InChIInChI=1S/C10H12/c1-8(2)6-7-10(5)9(3)4/h1,3,5H2,2,4H3
InChIKeyKKUJPZUVPOUPNW-UHFFFAOYSA-N
MW132.21 g/mol
LogP2.70
Rot. Bonds1

About 2,6-dimethyl-5-methylidenehepta-1,6-dien-3-yne

2,6-dimethyl-5-methylidenehepta-1,6-dien-3-yne (PubChem CID 11309529) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is 2,6-dimethyl-5-methylidenehepta-1,6-dien-3-yne.

Molecular Properties

Compound Name2,6-dimethyl-5-methylidenehepta-1,6-dien-3-yne
PubChem CID11309529
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Name2,6-dimethyl-5-methylidenehepta-1,6-dien-3-yne
SMILESC=C(C)C#CC(=C)C(=C)C
InChIInChI=1S/C10H12/c1-8(2)6-7-10(5)9(3)4/h1,3,5H2,2,4H3
InChIKeyKKUJPZUVPOUPNW-UHFFFAOYSA-N
XLogP2.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 52.70
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 2,6-dimethyl-5-methylidenehepta-1,6-dien-3-yne?
The IUPAC name of 2,6-dimethyl-5-methylidenehepta-1,6-dien-3-yne (CID 11309529) is 2,6-dimethyl-5-methylidenehepta-1,6-dien-3-yne.
What is the SMILES notation for 2,6-dimethyl-5-methylidenehepta-1,6-dien-3-yne?
The canonical SMILES for 2,6-dimethyl-5-methylidenehepta-1,6-dien-3-yne is C=C(C)C#CC(=C)C(=C)C.
What is the InChIKey of 2,6-dimethyl-5-methylidenehepta-1,6-dien-3-yne?
The InChIKey is KKUJPZUVPOUPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12/c1-8(2)6-7-10(5)9(3)4/h1,3,5H2,2,4H3.
What are the key properties of 2,6-dimethyl-5-methylidenehepta-1,6-dien-3-yne?
2,6-dimethyl-5-methylidenehepta-1,6-dien-3-yne has a molecular weight of 132.21 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-methylidenehepta-1,6-dien-3-yne is sourced from PubChem (CID 11309529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).