hydrogen carbonate;bis(tetrabutylphosphanium)

C34H74O6P2 — CID 139200490

IUPAChydrogen carbonate;bis(tetrabutylphosphanium)
SMILESCCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.O=C([O-])O.O=C([O-])O
InChIInChI=1S/2C16H36P.2CH2O3/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*2-1(3)4/h2*5-16H2,1-4H3;2*(H2,2,3,4)/q2*+1;;/p-2
InChIKeyGYAROEDKXRYCAR-UHFFFAOYSA-L
MW640.91 g/mol
LogP10.18
Rot. Bonds24

About hydrogen carbonate;bis(tetrabutylphosphanium)

hydrogen carbonate;bis(tetrabutylphosphanium) (PubChem CID 139200490) has the molecular formula C34H74O6P2 and a molecular weight of 640.91 g/mol. Its IUPAC name is hydrogen carbonate;bis(tetrabutylphosphanium).

Molecular Properties

Compound Namehydrogen carbonate;bis(tetrabutylphosphanium)
PubChem CID139200490
Molecular FormulaC34H74O6P2
Molecular Weight640.91 g/mol
Exact Mass640.50
IUPAC Namehydrogen carbonate;bis(tetrabutylphosphanium)
SMILESCCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.O=C([O-])O.O=C([O-])O
InChIInChI=1S/2C16H36P.2CH2O3/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*2-1(3)4/h2*5-16H2,1-4H3;2*(H2,2,3,4)/q2*+1;;/p-2
InChIKeyGYAROEDKXRYCAR-UHFFFAOYSA-L
XLogP10.18
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.91
LogP ≤ 510.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phosphanium;acetic acid;tetrabutylphosphanium;diacetate
CID 159655979
propanedioic acid;tetrabutylphosphanium
CID 87768954
tetrabutylphosphanium;2,2,2-trifluoroacetate
CID 87558348
tetrabutylphosphanium;tin(4+)
CID 160650774
tributyl(carboxymethyl)phosphanium;hydrochloride
CID 87779051
tributyl(3-oxobutyl)phosphanium
CID 102322083
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708
stibane;tetrabutylphosphanium;hexahydrofluoride
CID 172998203
tetrabutylphosphanium;fluoride;dihydrofluoride
CID 11823303
butan-1-olate;tetrabutylphosphanium
CID 19766644
(2R)-2-methylhexanoate
CID 6999857
octanoic acid;trihexyl(tetradecyl)phosphanium
CID 175390516

Frequently Asked Questions

What is the IUPAC name of hydrogen carbonate;bis(tetrabutylphosphanium)?
The IUPAC name of hydrogen carbonate;bis(tetrabutylphosphanium) (CID 139200490) is hydrogen carbonate;bis(tetrabutylphosphanium).
What is the SMILES notation for hydrogen carbonate;bis(tetrabutylphosphanium)?
The canonical SMILES for hydrogen carbonate;bis(tetrabutylphosphanium) is CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.O=C([O-])O.O=C([O-])O.
What is the InChIKey of hydrogen carbonate;bis(tetrabutylphosphanium)?
The InChIKey is GYAROEDKXRYCAR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H36P.2CH2O3/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*2-1(3)4/h2*5-16H2,1-4H3;2*(H2,2,3,4)/q2*+1;;/p-2.
What are the key properties of hydrogen carbonate;bis(tetrabutylphosphanium)?
hydrogen carbonate;bis(tetrabutylphosphanium) has a molecular weight of 640.91 g/mol, XLogP of 10.18, 24 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen carbonate;bis(tetrabutylphosphanium) is sourced from PubChem (CID 139200490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).