carbamic acid;dibutyl hydrogen phosphite

C9H22NO5P — CID 174676710

IUPACcarbamic acid;dibutyl hydrogen phosphite
SMILESCCCCOP(O)OCCCC.NC(=O)O
InChIInChI=1S/C8H19O3P.CH3NO2/c1-3-5-7-10-12(9)11-8-6-4-2;2-1(3)4/h9H,3-8H2,1-2H3;2H2,(H,3,4)
InChIKeyJZXYJSWQFOJAON-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.46
Rot. Bonds8

About carbamic acid;dibutyl hydrogen phosphite

carbamic acid;dibutyl hydrogen phosphite (PubChem CID 174676710) has the molecular formula C9H22NO5P and a molecular weight of 255.25 g/mol. Its IUPAC name is carbamic acid;dibutyl hydrogen phosphite.

Molecular Properties

Compound Namecarbamic acid;dibutyl hydrogen phosphite
PubChem CID174676710
Molecular FormulaC9H22NO5P
Molecular Weight255.25 g/mol
Exact Mass255.12
IUPAC Namecarbamic acid;dibutyl hydrogen phosphite
SMILESCCCCOP(O)OCCCC.NC(=O)O
InChIInChI=1S/C8H19O3P.CH3NO2/c1-3-5-7-10-12(9)11-8-6-4-2;2-1(3)4/h9H,3-8H2,1-2H3;2H2,(H,3,4)
InChIKeyJZXYJSWQFOJAON-UHFFFAOYSA-N
XLogP2.46
TPSA102.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(dibutyl hydrogen phosphite);silane
CID 175328252
dibutyl hydrogen phosphite;phosphorous acid
CID 88648426
didecyl hydrogen phosphite
CID 14151265
dibutyl hydrogen phosphite;ethyl 2-methylprop-2-enoate
CID 88746591
dibutyl hydrogen phosphite;phenylmethanamine;propan-2-one
CID 68898928
propyl tetradecyl hydrogen phosphite
CID 121403997
dihydroxy(oxo)titanium;bis(ditridecyl hydrogen phosphite)
CID 87482236
disodium;butyl hydrogen carbonate;hydride
CID 174632839
4-hydroxybutyl tridecyl hydrogen phosphite
CID 154235409
butyl hydrogen carbonate
CID 157271096
butyl carbamate;phosphane
CID 174948771
butyl carbamate;hydrochloride
CID 88609650

Frequently Asked Questions

What is the IUPAC name of carbamic acid;dibutyl hydrogen phosphite?
The IUPAC name of carbamic acid;dibutyl hydrogen phosphite (CID 174676710) is carbamic acid;dibutyl hydrogen phosphite.
What is the SMILES notation for carbamic acid;dibutyl hydrogen phosphite?
The canonical SMILES for carbamic acid;dibutyl hydrogen phosphite is CCCCOP(O)OCCCC.NC(=O)O.
What is the InChIKey of carbamic acid;dibutyl hydrogen phosphite?
The InChIKey is JZXYJSWQFOJAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O3P.CH3NO2/c1-3-5-7-10-12(9)11-8-6-4-2;2-1(3)4/h9H,3-8H2,1-2H3;2H2,(H,3,4).
What are the key properties of carbamic acid;dibutyl hydrogen phosphite?
carbamic acid;dibutyl hydrogen phosphite has a molecular weight of 255.25 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;dibutyl hydrogen phosphite is sourced from PubChem (CID 174676710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).