2-hex-1-ynyl-1,3-dimethylcyclohexene

C14H22 — CID 134837051

IUPAC2-hex-1-ynyl-1,3-dimethylcyclohexene
SMILESCCCCC#CC1=C(C)CCCC1C
InChIInChI=1S/C14H22/c1-4-5-6-7-11-14-12(2)9-8-10-13(14)3/h12H,4-6,8-10H2,1-3H3
InChIKeyUCNNGTCBAVZJJS-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.32
Rot. Bonds2

About 2-hex-1-ynyl-1,3-dimethylcyclohexene

2-hex-1-ynyl-1,3-dimethylcyclohexene (PubChem CID 134837051) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 2-hex-1-ynyl-1,3-dimethylcyclohexene.

Molecular Properties

Compound Name2-hex-1-ynyl-1,3-dimethylcyclohexene
PubChem CID134837051
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name2-hex-1-ynyl-1,3-dimethylcyclohexene
SMILESCCCCC#CC1=C(C)CCCC1C
InChIInChI=1S/C14H22/c1-4-5-6-7-11-14-12(2)9-8-10-13(14)3/h12H,4-6,8-10H2,1-3H3
InChIKeyUCNNGTCBAVZJJS-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Menthene
CID 25445
1,2,3-Trimethylcyclohex-1-ene
CID 12537123
Cyclopentene, 1,3-dimethyl-2-(1-methylethyl)-
CID 579282
2-But-3-ynyl-1,3,3-trimethylcyclohexene
CID 10997585
2-Ethynyl-1,3,3-trimethylcyclohex-1-ene
CID 13296912
Tetramethyloctene
CID 18915868
1,2,4-Trimethylcyclohex-1-ene
CID 21676549
1,2,3,4,5,6-Hexamethylcyclohexene
CID 22892780
Trimethylcycloheptene
CID 59796493
2,4-Dimethyl-1-propan-2-ylcyclohexene
CID 86080885
Dimethylethyl cyclohexene
CID 129726891
Tetramethylundecene
CID 156827842

Frequently Asked Questions

What is the IUPAC name of 2-hex-1-ynyl-1,3-dimethylcyclohexene?
The IUPAC name of 2-hex-1-ynyl-1,3-dimethylcyclohexene (CID 134837051) is 2-hex-1-ynyl-1,3-dimethylcyclohexene.
What is the SMILES notation for 2-hex-1-ynyl-1,3-dimethylcyclohexene?
The canonical SMILES for 2-hex-1-ynyl-1,3-dimethylcyclohexene is CCCCC#CC1=C(C)CCCC1C.
What is the InChIKey of 2-hex-1-ynyl-1,3-dimethylcyclohexene?
The InChIKey is UCNNGTCBAVZJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-4-5-6-7-11-14-12(2)9-8-10-13(14)3/h12H,4-6,8-10H2,1-3H3.
What are the key properties of 2-hex-1-ynyl-1,3-dimethylcyclohexene?
2-hex-1-ynyl-1,3-dimethylcyclohexene has a molecular weight of 190.33 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-1-ynyl-1,3-dimethylcyclohexene is sourced from PubChem (CID 134837051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).