1-[(E)-3-methylhept-3-en-1-ynyl]cyclohexene

C14H20 — CID 5354065

IUPAC1-[(E)-3-methylhept-3-en-1-ynyl]cyclohexene
SMILESCCC/C=C(\C)C#CC1=CCCCC1
InChIInChI=1S/C14H20/c1-3-4-8-13(2)11-12-14-9-6-5-7-10-14/h8-9H,3-7,10H2,1-2H3/b13-8+
InChIKeyWSSDFSJSEBDAQZ-MDWZMJQESA-N
MW188.31 g/mol
LogP4.24
Rot. Bonds2

About 1-[(E)-3-methylhept-3-en-1-ynyl]cyclohexene

1-[(E)-3-methylhept-3-en-1-ynyl]cyclohexene (PubChem CID 5354065) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-[(E)-3-methylhept-3-en-1-ynyl]cyclohexene.

Molecular Properties

Compound Name1-[(E)-3-methylhept-3-en-1-ynyl]cyclohexene
PubChem CID5354065
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1-[(E)-3-methylhept-3-en-1-ynyl]cyclohexene
SMILESCCC/C=C(\C)C#CC1=CCCCC1
InChIInChI=1S/C14H20/c1-3-4-8-13(2)11-12-14-9-6-5-7-10-14/h8-9H,3-7,10H2,1-2H3/b13-8+
InChIKeyWSSDFSJSEBDAQZ-MDWZMJQESA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-methylhept-3-en-1-ynyl]cyclohexene?
The IUPAC name of 1-[(E)-3-methylhept-3-en-1-ynyl]cyclohexene (CID 5354065) is 1-[(E)-3-methylhept-3-en-1-ynyl]cyclohexene.
What is the SMILES notation for 1-[(E)-3-methylhept-3-en-1-ynyl]cyclohexene?
The canonical SMILES for 1-[(E)-3-methylhept-3-en-1-ynyl]cyclohexene is CCC/C=C(\C)C#CC1=CCCCC1.
What is the InChIKey of 1-[(E)-3-methylhept-3-en-1-ynyl]cyclohexene?
The InChIKey is WSSDFSJSEBDAQZ-MDWZMJQESA-N. The full InChI is InChI=1S/C14H20/c1-3-4-8-13(2)11-12-14-9-6-5-7-10-14/h8-9H,3-7,10H2,1-2H3/b13-8+.
What are the key properties of 1-[(E)-3-methylhept-3-en-1-ynyl]cyclohexene?
1-[(E)-3-methylhept-3-en-1-ynyl]cyclohexene has a molecular weight of 188.31 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-methylhept-3-en-1-ynyl]cyclohexene is sourced from PubChem (CID 5354065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).