1-butyl-2-hex-1-ynylcyclobutene

C14H22 — CID 10559594

IUPAC1-butyl-2-hex-1-ynylcyclobutene
SMILESCCCCC#CC1=C(CCCC)CC1
InChIInChI=1S/C14H22/c1-3-5-7-8-10-14-12-11-13(14)9-6-4-2/h3-7,9,11-12H2,1-2H3
InChIKeyUTJLIPQTAMGOHM-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.46
Rot. Bonds5

About 1-butyl-2-hex-1-ynylcyclobutene

1-butyl-2-hex-1-ynylcyclobutene (PubChem CID 10559594) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1-butyl-2-hex-1-ynylcyclobutene.

Molecular Properties

Compound Name1-butyl-2-hex-1-ynylcyclobutene
PubChem CID10559594
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1-butyl-2-hex-1-ynylcyclobutene
SMILESCCCCC#CC1=C(CCCC)CC1
InChIInChI=1S/C14H22/c1-3-5-7-8-10-14-12-11-13(14)9-6-4-2/h3-7,9,11-12H2,1-2H3
InChIKeyUTJLIPQTAMGOHM-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.46
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

3-Ethyl-2-methyloct-2-ene
CID 85682407
5-Butyl-6-methyldec-5-ene
CID 17995259
Trimethylnonene
CID 19373828
1,2-Dipropyl-cyclobutene
CID 10630563
(1Z)-1,2-dimethylcyclododecene
CID 12511103
2,3-Dimethylundec-2-ene
CID 13347156
3,4-Dimethyl-3-decene
CID 54555052
2,3-Dimethylnon-2-ene
CID 22376031
1-Ethynyl-2-methylcyclohex-1-ene
CID 12377444
1-Methyl-2-oct-1-ynylcyclobutene
CID 10773623
8-Hept-1-ynyl-9-pentylhexadec-8-en-6,10-diyne
CID 11984056
(7Z)-7,8-dimethyl-7-tetradecene-1,13-diyne
CID 13356668

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-hex-1-ynylcyclobutene?
The IUPAC name of 1-butyl-2-hex-1-ynylcyclobutene (CID 10559594) is 1-butyl-2-hex-1-ynylcyclobutene.
What is the SMILES notation for 1-butyl-2-hex-1-ynylcyclobutene?
The canonical SMILES for 1-butyl-2-hex-1-ynylcyclobutene is CCCCC#CC1=C(CCCC)CC1.
What is the InChIKey of 1-butyl-2-hex-1-ynylcyclobutene?
The InChIKey is UTJLIPQTAMGOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-3-5-7-8-10-14-12-11-13(14)9-6-4-2/h3-7,9,11-12H2,1-2H3.
What are the key properties of 1-butyl-2-hex-1-ynylcyclobutene?
1-butyl-2-hex-1-ynylcyclobutene has a molecular weight of 190.33 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-hex-1-ynylcyclobutene is sourced from PubChem (CID 10559594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).