dibutyl hydrogen phosphite;ethyl 2-methylprop-2-enoate

C14H29O5P — CID 88746591

IUPACdibutyl hydrogen phosphite;ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC.CCCCOP(O)OCCCC
InChIInChI=1S/C8H19O3P.C6H10O2/c1-3-5-7-10-12(9)11-8-6-4-2;1-4-8-6(7)5(2)3/h9H,3-8H2,1-2H3;2,4H2,1,3H3
InChIKeyAFTYBDBCGACWPI-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.96
Rot. Bonds10

About dibutyl hydrogen phosphite;ethyl 2-methylprop-2-enoate

dibutyl hydrogen phosphite;ethyl 2-methylprop-2-enoate (PubChem CID 88746591) has the molecular formula C14H29O5P and a molecular weight of 308.36 g/mol. Its IUPAC name is dibutyl hydrogen phosphite;ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namedibutyl hydrogen phosphite;ethyl 2-methylprop-2-enoate
PubChem CID88746591
Molecular FormulaC14H29O5P
Molecular Weight308.36 g/mol
Exact Mass308.18
IUPAC Namedibutyl hydrogen phosphite;ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC.CCCCOP(O)OCCCC
InChIInChI=1S/C8H19O3P.C6H10O2/c1-3-5-7-10-12(9)11-8-6-4-2;1-4-8-6(7)5(2)3/h9H,3-8H2,1-2H3;2,4H2,1,3H3
InChIKeyAFTYBDBCGACWPI-UHFFFAOYSA-N
XLogP3.96
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

sodium ethyl 2-methylprop-2-enoate
CID 23346885
sodium;ethyl 2-methylprop-2-enoate;hydride
CID 173442862
ethyl 2-methylprop-2-enoate
CID 130475774
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
butyl 2-methylprop-2-enoate;methane
CID 159646333
butyl 2-methylprop-2-enoate;ethene
CID 158758814
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethyl 2-methylprop-2-enoate;methane
CID 159235789
N-butylbutan-1-amine;ethyl 2-methylprop-2-enoate
CID 158486593
dibutyl hydrogen phosphite;phosphorous acid
CID 88648426
butyl 2-methylprop-2-enoate;carbamic acid
CID 174813698

Frequently Asked Questions

What is the IUPAC name of dibutyl hydrogen phosphite;ethyl 2-methylprop-2-enoate?
The IUPAC name of dibutyl hydrogen phosphite;ethyl 2-methylprop-2-enoate (CID 88746591) is dibutyl hydrogen phosphite;ethyl 2-methylprop-2-enoate.
What is the SMILES notation for dibutyl hydrogen phosphite;ethyl 2-methylprop-2-enoate?
The canonical SMILES for dibutyl hydrogen phosphite;ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC.CCCCOP(O)OCCCC.
What is the InChIKey of dibutyl hydrogen phosphite;ethyl 2-methylprop-2-enoate?
The InChIKey is AFTYBDBCGACWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O3P.C6H10O2/c1-3-5-7-10-12(9)11-8-6-4-2;1-4-8-6(7)5(2)3/h9H,3-8H2,1-2H3;2,4H2,1,3H3.
What are the key properties of dibutyl hydrogen phosphite;ethyl 2-methylprop-2-enoate?
dibutyl hydrogen phosphite;ethyl 2-methylprop-2-enoate has a molecular weight of 308.36 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl hydrogen phosphite;ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 88746591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).