2-butoxyethynyl(dicyclohexyl)phosphane

C18H31OP — CID 135083952

IUPAC2-butoxyethynyl(dicyclohexyl)phosphane
SMILESCCCCOC#CP(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H31OP/c1-2-3-14-19-15-16-20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h17-18H,2-14H2,1H3
InChIKeyKNWBYILBNUHJFX-UHFFFAOYSA-N
MW294.42 g/mol
LogP5.87
Rot. Bonds5

About 2-butoxyethynyl(dicyclohexyl)phosphane

2-butoxyethynyl(dicyclohexyl)phosphane (PubChem CID 135083952) has the molecular formula C18H31OP and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-butoxyethynyl(dicyclohexyl)phosphane.

Molecular Properties

Compound Name2-butoxyethynyl(dicyclohexyl)phosphane
PubChem CID135083952
Molecular FormulaC18H31OP
Molecular Weight294.42 g/mol
Exact Mass294.21
IUPAC Name2-butoxyethynyl(dicyclohexyl)phosphane
SMILESCCCCOC#CP(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H31OP/c1-2-3-14-19-15-16-20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h17-18H,2-14H2,1H3
InChIKeyKNWBYILBNUHJFX-UHFFFAOYSA-N
XLogP5.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.42
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dicyclohexyl(tetradec-1-ynyl)phosphane
CID 102108656
butyl-cyclopentyl-methylphosphane
CID 155308845
cyclohexyl(diheptyl)phosphane
CID 118892787
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane
CID 173273683
1,2-dibutoxycyclohexane
CID 24962665
1-butylperoxybutane;cyclooctane
CID 140991302
dicyclohexyl-[[cyclohexyl(hexyl)phosphanyl]methyl]phosphane
CID 143925195
cyclohexyl-[4-[cyclohexyl(methyl)phosphanyl]butyl]-methylphosphane
CID 90057473
butylperoxymethylcyclohexane
CID 139855093
cyclohexyl-ethyl-octylphosphane
CID 90109221
di(cyclobutyl)-octylphosphane
CID 151646814
pentadecoxycyclopentane
CID 155570194

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethynyl(dicyclohexyl)phosphane?
The IUPAC name of 2-butoxyethynyl(dicyclohexyl)phosphane (CID 135083952) is 2-butoxyethynyl(dicyclohexyl)phosphane.
What is the SMILES notation for 2-butoxyethynyl(dicyclohexyl)phosphane?
The canonical SMILES for 2-butoxyethynyl(dicyclohexyl)phosphane is CCCCOC#CP(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-butoxyethynyl(dicyclohexyl)phosphane?
The InChIKey is KNWBYILBNUHJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31OP/c1-2-3-14-19-15-16-20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h17-18H,2-14H2,1H3.
What are the key properties of 2-butoxyethynyl(dicyclohexyl)phosphane?
2-butoxyethynyl(dicyclohexyl)phosphane has a molecular weight of 294.42 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethynyl(dicyclohexyl)phosphane is sourced from PubChem (CID 135083952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).