(Z)-7-methyl-3,6-dimethylideneoct-4-en-1-yne

C11H14 — CID 145388588

IUPAC(Z)-7-methyl-3,6-dimethylideneoct-4-en-1-yne
SMILESC#CC(=C)/C=C\C(=C)C(C)C
InChIInChI=1S/C11H14/c1-6-10(4)7-8-11(5)9(2)3/h1,7-9H,4-5H2,2-3H3/b8-7-
InChIKeyZNPSDFCHNBBRNS-FPLPWBNLSA-N
MW146.23 g/mol
LogP2.94
Rot. Bonds3

About (Z)-7-methyl-3,6-dimethylideneoct-4-en-1-yne

(Z)-7-methyl-3,6-dimethylideneoct-4-en-1-yne (PubChem CID 145388588) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is (Z)-7-methyl-3,6-dimethylideneoct-4-en-1-yne.

Molecular Properties

Compound Name(Z)-7-methyl-3,6-dimethylideneoct-4-en-1-yne
PubChem CID145388588
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name(Z)-7-methyl-3,6-dimethylideneoct-4-en-1-yne
SMILESC#CC(=C)/C=C\C(=C)C(C)C
InChIInChI=1S/C11H14/c1-6-10(4)7-8-11(5)9(2)3/h1,7-9H,4-5H2,2-3H3/b8-7-
InChIKeyZNPSDFCHNBBRNS-FPLPWBNLSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.94
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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Related Compounds

ethane;(3Z)-2-methyl-5-methylidenehepta-1,3-dien-6-yne
CID 153401729
(2E,5Z)-8-methyl-4,7-dimethylidenenona-2,5-diene;hydroiodide
CID 143788216
(3Z,7Z)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane
CID 143250698
(2Z,4Z)-7-methyl-6-methylideneocta-2,4-dien-2-amine
CID 90277185
(3E,5Z)-8-methyl-7-methylidenenona-1,3,5-trien-4-amine
CID 144536498
(Z)-2,7-dimethyl-3,6-dimethylidenedec-4-ene;propane
CID 166116853
[(3Z,7Z)-10-methyl-5,6,9-trimethylideneundeca-1,3,7-trien-2-yl] cyanate
CID 166529302
O-[(Z)-4-methyl-3-methylidenepent-1-enyl]hydroxylamine
CID 147805987
ethane;(3Z)-6-methyl-5-methylidenehepta-1,3-diene;yttrium
CID 177140629
(3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-ol;2-methyloxirane
CID 143202133
(2Z,5Z)-N,8-dimethyl-7-methylidene-3-propan-2-ylnona-2,5-dien-4-imine;ethane
CID 166146875
1-methyl-1-[(Z)-5-methyl-4-methylidenehex-2-enyl]hydrazine
CID 155262112

Frequently Asked Questions

What is the IUPAC name of (Z)-7-methyl-3,6-dimethylideneoct-4-en-1-yne?
The IUPAC name of (Z)-7-methyl-3,6-dimethylideneoct-4-en-1-yne (CID 145388588) is (Z)-7-methyl-3,6-dimethylideneoct-4-en-1-yne.
What is the SMILES notation for (Z)-7-methyl-3,6-dimethylideneoct-4-en-1-yne?
The canonical SMILES for (Z)-7-methyl-3,6-dimethylideneoct-4-en-1-yne is C#CC(=C)/C=C\C(=C)C(C)C.
What is the InChIKey of (Z)-7-methyl-3,6-dimethylideneoct-4-en-1-yne?
The InChIKey is ZNPSDFCHNBBRNS-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H14/c1-6-10(4)7-8-11(5)9(2)3/h1,7-9H,4-5H2,2-3H3/b8-7-.
What are the key properties of (Z)-7-methyl-3,6-dimethylideneoct-4-en-1-yne?
(Z)-7-methyl-3,6-dimethylideneoct-4-en-1-yne has a molecular weight of 146.23 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-methyl-3,6-dimethylideneoct-4-en-1-yne is sourced from PubChem (CID 145388588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).