1-hexyl-1-hex-1-ynylcyclopropane

C15H26 — CID 132524992

IUPAC1-hexyl-1-hex-1-ynylcyclopropane
SMILESCCCCC#CC1(CCCCCC)CC1
InChIInChI=1S/C15H26/c1-3-5-7-9-11-15(13-14-15)12-10-8-6-4-2/h3-9,11,13-14H2,1-2H3
InChIKeyGHJDCGQQSJLOEB-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.93
Rot. Bonds7

About 1-hexyl-1-hex-1-ynylcyclopropane

1-hexyl-1-hex-1-ynylcyclopropane (PubChem CID 132524992) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 1-hexyl-1-hex-1-ynylcyclopropane.

Molecular Properties

Compound Name1-hexyl-1-hex-1-ynylcyclopropane
PubChem CID132524992
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name1-hexyl-1-hex-1-ynylcyclopropane
SMILESCCCCC#CC1(CCCCCC)CC1
InChIInChI=1S/C15H26/c1-3-5-7-9-11-15(13-14-15)12-10-8-6-4-2/h3-9,11,13-14H2,1-2H3
InChIKeyGHJDCGQQSJLOEB-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.93
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-Methyl-1-pentyl-cyclopropane
CID 524644
1-Methyl-1-hexyl-cyclopropane
CID 524642
Cyclooctyne, 3,3,8,8-tetramethyl-
CID 143058
1-Methyl-1-nonylcyclopropane
CID 10845170
Cyclopropane, 1,2-dibutyl-1,2-diethyl-
CID 11367815
Tetramethylde-cyne
CID 22267109
8,8-Dimethylnon-1-yne
CID 60061016
1-Methyl-1-octylcyclopropane
CID 101080713
1-Methyl-1-(4-methylpentyl)cyclopropane
CID 17852430
3,3-Dimethylnon-1-yne
CID 54485582
5,5,8,8-Tetramethylcyclodecyne
CID 519909
1-(n-Amyl)-1,2-diethyl-2-methylcyclopropane
CID 15496602

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-1-hex-1-ynylcyclopropane?
The IUPAC name of 1-hexyl-1-hex-1-ynylcyclopropane (CID 132524992) is 1-hexyl-1-hex-1-ynylcyclopropane.
What is the SMILES notation for 1-hexyl-1-hex-1-ynylcyclopropane?
The canonical SMILES for 1-hexyl-1-hex-1-ynylcyclopropane is CCCCC#CC1(CCCCCC)CC1.
What is the InChIKey of 1-hexyl-1-hex-1-ynylcyclopropane?
The InChIKey is GHJDCGQQSJLOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-3-5-7-9-11-15(13-14-15)12-10-8-6-4-2/h3-9,11,13-14H2,1-2H3.
What are the key properties of 1-hexyl-1-hex-1-ynylcyclopropane?
1-hexyl-1-hex-1-ynylcyclopropane has a molecular weight of 206.37 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-1-hex-1-ynylcyclopropane is sourced from PubChem (CID 132524992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).