3-methylpent-4-en-1-ynylcyclohexane

C12H18 — CID 134994843

IUPAC3-methylpent-4-en-1-ynylcyclohexane
SMILESC=CC(C)C#CC1CCCCC1
InChIInChI=1S/C12H18/c1-3-11(2)9-10-12-7-5-4-6-8-12/h3,11-12H,1,4-8H2,2H3
InChIKeyVMLXNXFTFRPBLQ-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.39
Rot. Bonds1

About 3-methylpent-4-en-1-ynylcyclohexane

3-methylpent-4-en-1-ynylcyclohexane (PubChem CID 134994843) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 3-methylpent-4-en-1-ynylcyclohexane.

Molecular Properties

Compound Name3-methylpent-4-en-1-ynylcyclohexane
PubChem CID134994843
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name3-methylpent-4-en-1-ynylcyclohexane
SMILESC=CC(C)C#CC1CCCCC1
InChIInChI=1S/C12H18/c1-3-11(2)9-10-12-7-5-4-6-8-12/h3,11-12H,1,4-8H2,2H3
InChIKeyVMLXNXFTFRPBLQ-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.39
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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Related Compounds

1-Ethenyl-4-methylcyclohexane
CID 5012311
Pent-4-en-1-ynylcyclohexane
CID 45079372
Vinylcyclohexane Propylene
CID 86745998
[(E)-dec-1-en-3-ynyl]cyclohexane
CID 13346331
ZINC;ethane;ethenylcyclohexane
CID 14961439
ZINC;carbanide;ethenylcyclohexane
CID 14961440
4-Oct-1-ynylcyclohexene
CID 86111047
[(E)-pent-1-en-3-ynyl]cyclohexane
CID 101730822
Non-1-en-4-yn-3-ylcyclohexane
CID 134965251
[(E)-dec-3-en-1-ynyl]cyclohexane
CID 134993730
[(Z)-pent-1-en-3-ynyl]cyclohexane
CID 135078978
3-Methylhex-5-en-1-ynylcyclohexane
CID 154711258

Frequently Asked Questions

What is the IUPAC name of 3-methylpent-4-en-1-ynylcyclohexane?
The IUPAC name of 3-methylpent-4-en-1-ynylcyclohexane (CID 134994843) is 3-methylpent-4-en-1-ynylcyclohexane.
What is the SMILES notation for 3-methylpent-4-en-1-ynylcyclohexane?
The canonical SMILES for 3-methylpent-4-en-1-ynylcyclohexane is C=CC(C)C#CC1CCCCC1.
What is the InChIKey of 3-methylpent-4-en-1-ynylcyclohexane?
The InChIKey is VMLXNXFTFRPBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-3-11(2)9-10-12-7-5-4-6-8-12/h3,11-12H,1,4-8H2,2H3.
What are the key properties of 3-methylpent-4-en-1-ynylcyclohexane?
3-methylpent-4-en-1-ynylcyclohexane has a molecular weight of 162.28 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpent-4-en-1-ynylcyclohexane is sourced from PubChem (CID 134994843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).