cyclohexyl carbonate;tetrabutylphosphanium

C23H47O3P — CID 66627330

IUPACcyclohexyl carbonate;tetrabutylphosphanium
SMILESCCCC[P+](CCCC)(CCCC)CCCC.O=C([O-])OC1CCCCC1
InChIInChI=1S/C16H36P.C7H12O3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;8-7(9)10-6-4-2-1-3-5-6/h5-16H2,1-4H3;6H,1-5H2,(H,8,9)/q+1;/p-1
InChIKeyYWKROCNLAWEIRB-UHFFFAOYSA-M
MW402.60 g/mol
LogP6.88
Rot. Bonds13

About cyclohexyl carbonate;tetrabutylphosphanium

cyclohexyl carbonate;tetrabutylphosphanium (PubChem CID 66627330) has the molecular formula C23H47O3P and a molecular weight of 402.60 g/mol. Its IUPAC name is cyclohexyl carbonate;tetrabutylphosphanium.

Molecular Properties

Compound Namecyclohexyl carbonate;tetrabutylphosphanium
PubChem CID66627330
Molecular FormulaC23H47O3P
Molecular Weight402.60 g/mol
Exact Mass402.33
IUPAC Namecyclohexyl carbonate;tetrabutylphosphanium
SMILESCCCC[P+](CCCC)(CCCC)CCCC.O=C([O-])OC1CCCCC1
InChIInChI=1S/C16H36P.C7H12O3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;8-7(9)10-6-4-2-1-3-5-6/h5-16H2,1-4H3;6H,1-5H2,(H,8,9)/q+1;/p-1
InChIKeyYWKROCNLAWEIRB-UHFFFAOYSA-M
XLogP6.88
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.60
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyloxycarbonylheptanoic acid
CID 175582119
hydrogen carbonate;bis(tetrabutylphosphanium)
CID 139200490
cyclohexyl 3-dodecylheptadecanoate
CID 23148804
2-O-cyclohexyl 1-O-hexyl oxalate
CID 6421307
tributyl(cyclohexyl)phosphanium acetate
CID 18355957
(1-cyclohexyloxy-1-oxododecan-2-yl)-trimethylazanium bromide
CID 51059954
cyclohexyl butanoate;2-ethylhexanoic acid;zinc
CID 175558341
1-cycloheptyloxy-3-ethylheptan-2-one
CID 134575358
tributyl(cyclohexyloxy)phosphanium
CID 23415292
cyclopentyl 2-aminopentanoate
CID 61278203
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
phosphanium;acetic acid;tetrabutylphosphanium;diacetate
CID 159655979

Frequently Asked Questions

What is the IUPAC name of cyclohexyl carbonate;tetrabutylphosphanium?
The IUPAC name of cyclohexyl carbonate;tetrabutylphosphanium (CID 66627330) is cyclohexyl carbonate;tetrabutylphosphanium.
What is the SMILES notation for cyclohexyl carbonate;tetrabutylphosphanium?
The canonical SMILES for cyclohexyl carbonate;tetrabutylphosphanium is CCCC[P+](CCCC)(CCCC)CCCC.O=C([O-])OC1CCCCC1.
What is the InChIKey of cyclohexyl carbonate;tetrabutylphosphanium?
The InChIKey is YWKROCNLAWEIRB-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36P.C7H12O3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;8-7(9)10-6-4-2-1-3-5-6/h5-16H2,1-4H3;6H,1-5H2,(H,8,9)/q+1;/p-1.
What are the key properties of cyclohexyl carbonate;tetrabutylphosphanium?
cyclohexyl carbonate;tetrabutylphosphanium has a molecular weight of 402.60 g/mol, XLogP of 6.88, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl carbonate;tetrabutylphosphanium is sourced from PubChem (CID 66627330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).