7-methyl-3-methylideneoct-6-en-1-yne

C10H14 — CID 11018920

IUPAC7-methyl-3-methylideneoct-6-en-1-yne
SMILESC#CC(=C)CCC=C(C)C
InChIInChI=1S/C10H14/c1-5-10(4)8-6-7-9(2)3/h1,7H,4,6,8H2,2-3H3
InChIKeyZBTWAOFUZWMKKP-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.92
Rot. Bonds3

About 7-methyl-3-methylideneoct-6-en-1-yne

7-methyl-3-methylideneoct-6-en-1-yne (PubChem CID 11018920) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 7-methyl-3-methylideneoct-6-en-1-yne.

Molecular Properties

Compound Name7-methyl-3-methylideneoct-6-en-1-yne
PubChem CID11018920
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name7-methyl-3-methylideneoct-6-en-1-yne
SMILESC#CC(=C)CCC=C(C)C
InChIInChI=1S/C10H14/c1-5-10(4)8-6-7-9(2)3/h1,7H,4,6,8H2,2-3H3
InChIKeyZBTWAOFUZWMKKP-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-methylideneoct-6-en-1-yne?
The IUPAC name of 7-methyl-3-methylideneoct-6-en-1-yne (CID 11018920) is 7-methyl-3-methylideneoct-6-en-1-yne.
What is the SMILES notation for 7-methyl-3-methylideneoct-6-en-1-yne?
The canonical SMILES for 7-methyl-3-methylideneoct-6-en-1-yne is C#CC(=C)CCC=C(C)C.
What is the InChIKey of 7-methyl-3-methylideneoct-6-en-1-yne?
The InChIKey is ZBTWAOFUZWMKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-5-10(4)8-6-7-9(2)3/h1,7H,4,6,8H2,2-3H3.
What are the key properties of 7-methyl-3-methylideneoct-6-en-1-yne?
7-methyl-3-methylideneoct-6-en-1-yne has a molecular weight of 134.22 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-methylideneoct-6-en-1-yne is sourced from PubChem (CID 11018920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).