(Z)-6-methyloct-5-en-1-yne

C9H14 — CID 10953485

IUPAC(Z)-6-methyloct-5-en-1-yne
SMILESC#CCC/C=C(/C)CC
InChIInChI=1S/C9H14/c1-4-6-7-8-9(3)5-2/h1,8H,5-7H2,2-3H3/b9-8-
InChIKeyZJUPUOSUBZISFM-HJWRWDBZSA-N
MW122.21 g/mol
LogP2.76
Rot. Bonds3

About (Z)-6-methyloct-5-en-1-yne

(Z)-6-methyloct-5-en-1-yne (PubChem CID 10953485) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (Z)-6-methyloct-5-en-1-yne.

Molecular Properties

Compound Name(Z)-6-methyloct-5-en-1-yne
PubChem CID10953485
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(Z)-6-methyloct-5-en-1-yne
SMILESC#CCC/C=C(/C)CC
InChIInChI=1S/C9H14/c1-4-6-7-8-9(3)5-2/h1,8H,5-7H2,2-3H3/b9-8-
InChIKeyZJUPUOSUBZISFM-HJWRWDBZSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (Z)-6-methyloct-5-en-1-yne?
The IUPAC name of (Z)-6-methyloct-5-en-1-yne (CID 10953485) is (Z)-6-methyloct-5-en-1-yne.
What is the SMILES notation for (Z)-6-methyloct-5-en-1-yne?
The canonical SMILES for (Z)-6-methyloct-5-en-1-yne is C#CCC/C=C(/C)CC.
What is the InChIKey of (Z)-6-methyloct-5-en-1-yne?
The InChIKey is ZJUPUOSUBZISFM-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H14/c1-4-6-7-8-9(3)5-2/h1,8H,5-7H2,2-3H3/b9-8-.
What are the key properties of (Z)-6-methyloct-5-en-1-yne?
(Z)-6-methyloct-5-en-1-yne has a molecular weight of 122.21 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-methyloct-5-en-1-yne is sourced from PubChem (CID 10953485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).