acetylene;1-methylcyclohexene

C9H14 — CID 145280126

IUPACacetylene;1-methylcyclohexene
SMILESC#C.CC1=CCCCC1
InChIInChI=1S/C7H12.C2H2/c1-7-5-3-2-4-6-7;1-2/h5H,2-4,6H2,1H3;1-2H
InChIKeyCWPDQZKNJKWFLL-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.76
Rot. Bonds

About acetylene;1-methylcyclohexene

acetylene;1-methylcyclohexene (PubChem CID 145280126) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is acetylene;1-methylcyclohexene.

Molecular Properties

Compound Nameacetylene;1-methylcyclohexene
PubChem CID145280126
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Nameacetylene;1-methylcyclohexene
SMILESC#C.CC1=CCCCC1
InChIInChI=1S/C7H12.C2H2/c1-7-5-3-2-4-6-7;1-2/h5H,2-4,6H2,1H3;1-2H
InChIKeyCWPDQZKNJKWFLL-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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': '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 acetylene;1-methylcyclohexene?
The IUPAC name of acetylene;1-methylcyclohexene (CID 145280126) is acetylene;1-methylcyclohexene.
What is the SMILES notation for acetylene;1-methylcyclohexene?
The canonical SMILES for acetylene;1-methylcyclohexene is C#C.CC1=CCCCC1.
What is the InChIKey of acetylene;1-methylcyclohexene?
The InChIKey is CWPDQZKNJKWFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.C2H2/c1-7-5-3-2-4-6-7;1-2/h5H,2-4,6H2,1H3;1-2H.
What are the key properties of acetylene;1-methylcyclohexene?
acetylene;1-methylcyclohexene has a molecular weight of 122.21 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1-methylcyclohexene is sourced from PubChem (CID 145280126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).