2-[(Z)-3-methylpent-2-en-4-ynoxy]ethylidenecyclohexane

C14H20O — CID 24775974

IUPAC2-[(Z)-3-methylpent-2-en-4-ynoxy]ethylidenecyclohexane
SMILESC#C/C(C)=C\COCC=C1CCCCC1
InChIInChI=1S/C14H20O/c1-3-13(2)9-11-15-12-10-14-7-5-4-6-8-14/h1,9-10H,4-8,11-12H2,2H3/b13-9-
InChIKeyIARPPVNRBLFQLI-LCYFTJDESA-N
MW204.31 g/mol
LogP3.47
Rot. Bonds4

About 2-[(Z)-3-methylpent-2-en-4-ynoxy]ethylidenecyclohexane

2-[(Z)-3-methylpent-2-en-4-ynoxy]ethylidenecyclohexane (PubChem CID 24775974) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-[(Z)-3-methylpent-2-en-4-ynoxy]ethylidenecyclohexane.

Molecular Properties

Compound Name2-[(Z)-3-methylpent-2-en-4-ynoxy]ethylidenecyclohexane
PubChem CID24775974
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-[(Z)-3-methylpent-2-en-4-ynoxy]ethylidenecyclohexane
SMILESC#C/C(C)=C\COCC=C1CCCCC1
InChIInChI=1S/C14H20O/c1-3-13(2)9-11-15-12-10-14-7-5-4-6-8-14/h1,9-10H,4-8,11-12H2,2H3/b13-9-
InChIKeyIARPPVNRBLFQLI-LCYFTJDESA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-[(Z)-3-methylpent-2-en-4-ynoxy]ethylidenecyclohexane?
The IUPAC name of 2-[(Z)-3-methylpent-2-en-4-ynoxy]ethylidenecyclohexane (CID 24775974) is 2-[(Z)-3-methylpent-2-en-4-ynoxy]ethylidenecyclohexane.
What is the SMILES notation for 2-[(Z)-3-methylpent-2-en-4-ynoxy]ethylidenecyclohexane?
The canonical SMILES for 2-[(Z)-3-methylpent-2-en-4-ynoxy]ethylidenecyclohexane is C#C/C(C)=C\COCC=C1CCCCC1.
What is the InChIKey of 2-[(Z)-3-methylpent-2-en-4-ynoxy]ethylidenecyclohexane?
The InChIKey is IARPPVNRBLFQLI-LCYFTJDESA-N. The full InChI is InChI=1S/C14H20O/c1-3-13(2)9-11-15-12-10-14-7-5-4-6-8-14/h1,9-10H,4-8,11-12H2,2H3/b13-9-.
What are the key properties of 2-[(Z)-3-methylpent-2-en-4-ynoxy]ethylidenecyclohexane?
2-[(Z)-3-methylpent-2-en-4-ynoxy]ethylidenecyclohexane has a molecular weight of 204.31 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-methylpent-2-en-4-ynoxy]ethylidenecyclohexane is sourced from PubChem (CID 24775974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).