1-ethynyl-5,5-dimethylcyclohexene

C10H14 — CID 100943763

IUPAC1-ethynyl-5,5-dimethylcyclohexene
SMILESC#CC1=CCCC(C)(C)C1
InChIInChI=1S/C10H14/c1-4-9-6-5-7-10(2,3)8-9/h1,6H,5,7-8H2,2-3H3
InChIKeyIFTGHAJENMUEGS-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.76
Rot. Bonds

About 1-ethynyl-5,5-dimethylcyclohexene

1-ethynyl-5,5-dimethylcyclohexene (PubChem CID 100943763) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1-ethynyl-5,5-dimethylcyclohexene.

Molecular Properties

Compound Name1-ethynyl-5,5-dimethylcyclohexene
PubChem CID100943763
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1-ethynyl-5,5-dimethylcyclohexene
SMILESC#CC1=CCCC(C)(C)C1
InChIInChI=1S/C10H14/c1-4-9-6-5-7-10(2,3)8-9/h1,6H,5,7-8H2,2-3H3
InChIKeyIFTGHAJENMUEGS-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexene, trimethyl-
CID 79032
Cyclohexene, 1,4,4-trimethyl-
CID 137927
2,3,3-Trimethylcyclohexene
CID 522358
4-Ethynyl-1,3-dimethylcyclohex-1-ene
CID 123812267
4-Tert-butyl-1-hex-1-ynylcyclohexene
CID 11367976
6-[(E)-but-1-en-3-ynyl]-1,5,5-trimethylcyclohexene
CID 14730884
4-Hex-1-en-5-yn-2-yl-1-methylcyclohexene
CID 177866085
Cyclohexene, 1,4-dimethyl-4-(1-methylethenyl)
CID 524203
4-Methyl-3-cyclohexenylacetylene
CID 10261083
1-Ethynyl-6-methylcyclohexene
CID 12377445
1-(3,3-Dimethyl-cyclohex-1-en-1-yl)-pent-4-en-1-yne
CID 20569415
1-(3,3-Dimethyl-cyclohex-6-en-1-yl)-pent-4-en-1-yne
CID 20569434

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-5,5-dimethylcyclohexene?
The IUPAC name of 1-ethynyl-5,5-dimethylcyclohexene (CID 100943763) is 1-ethynyl-5,5-dimethylcyclohexene.
What is the SMILES notation for 1-ethynyl-5,5-dimethylcyclohexene?
The canonical SMILES for 1-ethynyl-5,5-dimethylcyclohexene is C#CC1=CCCC(C)(C)C1.
What is the InChIKey of 1-ethynyl-5,5-dimethylcyclohexene?
The InChIKey is IFTGHAJENMUEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-4-9-6-5-7-10(2,3)8-9/h1,6H,5,7-8H2,2-3H3.
What are the key properties of 1-ethynyl-5,5-dimethylcyclohexene?
1-ethynyl-5,5-dimethylcyclohexene has a molecular weight of 134.22 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 1-ethynyl-5,5-dimethylcyclohexene is sourced from PubChem (CID 100943763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).