6-ethynyl-1,5,5-trimethylcyclohexene

C11H16 — CID 13296916

IUPAC6-ethynyl-1,5,5-trimethylcyclohexene
SMILESC#CC1C(C)=CCCC1(C)C
InChIInChI=1S/C11H16/c1-5-10-9(2)7-6-8-11(10,3)4/h1,7,10H,6,8H2,2-4H3
InChIKeyMZQDRHJWIUPQRH-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.00
Rot. Bonds

About 6-ethynyl-1,5,5-trimethylcyclohexene

6-ethynyl-1,5,5-trimethylcyclohexene (PubChem CID 13296916) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 6-ethynyl-1,5,5-trimethylcyclohexene.

Molecular Properties

Compound Name6-ethynyl-1,5,5-trimethylcyclohexene
PubChem CID13296916
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name6-ethynyl-1,5,5-trimethylcyclohexene
SMILESC#CC1C(C)=CCCC1(C)C
InChIInChI=1S/C11H16/c1-5-10-9(2)7-6-8-11(10,3)4/h1,7,10H,6,8H2,2-4H3
InChIKeyMZQDRHJWIUPQRH-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.00
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

(3S,4S)-4-Ethenyl-4-methyl-3-(prop-1-en-2-yl)cyclohexene
CID 12310053
Cyclohexane, 1-ethenyl-1-methyl-2-(1-methylethenyl)-4-(1-methylethyl)-, didehydro deriv.
CID 111381
4-t-Pentylcyclohexene
CID 551432
3,3,5,5-Tetramethyllimonene
CID 173156
(3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexene
CID 10607083
4-Ethynyl-1,3-dimethylcyclohex-1-ene
CID 123812267
(1S,5S)-8-ethynyl-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-ene
CID 118730784
(3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexene
CID 12310054
(6S)-1,5,5,6-tetramethyl-6-(3-methylbutyl)cyclohexene
CID 162868046
Cyclohexene, 6-(2-butenyl)-1,5,5-trimethyl-, (E)-
CID 5371284
4-Tert-butyl-1-hex-1-ynylcyclohexene
CID 11367976
6-[(E)-but-1-en-3-ynyl]-1,5,5-trimethylcyclohexene
CID 14730884

Frequently Asked Questions

What is the IUPAC name of 6-ethynyl-1,5,5-trimethylcyclohexene?
The IUPAC name of 6-ethynyl-1,5,5-trimethylcyclohexene (CID 13296916) is 6-ethynyl-1,5,5-trimethylcyclohexene.
What is the SMILES notation for 6-ethynyl-1,5,5-trimethylcyclohexene?
The canonical SMILES for 6-ethynyl-1,5,5-trimethylcyclohexene is C#CC1C(C)=CCCC1(C)C.
What is the InChIKey of 6-ethynyl-1,5,5-trimethylcyclohexene?
The InChIKey is MZQDRHJWIUPQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-5-10-9(2)7-6-8-11(10,3)4/h1,7,10H,6,8H2,2-4H3.
What are the key properties of 6-ethynyl-1,5,5-trimethylcyclohexene?
6-ethynyl-1,5,5-trimethylcyclohexene has a molecular weight of 148.25 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-1,5,5-trimethylcyclohexene is sourced from PubChem (CID 13296916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).