bis(2-methylprop-1-ene);phosphorous acid

C8H19O3P — CID 175970460

IUPACbis(2-methylprop-1-ene);phosphorous acid
SMILESC=C(C)C.C=C(C)C.OP(O)O
InChIInChI=1S/2C4H8.H3O3P/c3*1-4(2)3/h2*1H2,2-3H3;1-3H
InChIKeyCOFIDXCGGOJELU-UHFFFAOYSA-N
MW194.21 g/mol
LogP2.36
Rot. Bonds

About bis(2-methylprop-1-ene);phosphorous acid

bis(2-methylprop-1-ene);phosphorous acid (PubChem CID 175970460) has the molecular formula C8H19O3P and a molecular weight of 194.21 g/mol. Its IUPAC name is bis(2-methylprop-1-ene);phosphorous acid.

Molecular Properties

Compound Namebis(2-methylprop-1-ene);phosphorous acid
PubChem CID175970460
Molecular FormulaC8H19O3P
Molecular Weight194.21 g/mol
Exact Mass194.11
IUPAC Namebis(2-methylprop-1-ene);phosphorous acid
SMILESC=C(C)C.C=C(C)C.OP(O)O
InChIInChI=1S/2C4H8.H3O3P/c3*1-4(2)3/h2*1H2,2-3H3;1-3H
InChIKeyCOFIDXCGGOJELU-UHFFFAOYSA-N
XLogP2.36
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methane;tetrakis(2-methylprop-1-ene)
CID 159196476
ethane;tris(2-methylprop-1-ene)
CID 144520420
lithium;hydride;2-methylprop-1-ene
CID 174274839
bis(2-methylprop-1-ene);propane
CID 159493997
dimethyl(prop-1-en-2-yl)phosphane
CID 58231865
bis(N,N-dimethylmethanamine);2-methylprop-1-ene
CID 174752405
tetrakis(ethane-1,2-diol);2-methylprop-1-ene
CID 173101980
buta-1,3-diene;bis(2-methylprop-1-ene)
CID 157325462
acetic acid;2-methylprop-1-ene
CID 139328555
ethane-1,2-diol;bis(2-methylprop-1-ene)
CID 158620433
phosphorous acid;tetramethylphosphanium
CID 87583663
2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid
CID 162067648

Frequently Asked Questions

What is the IUPAC name of bis(2-methylprop-1-ene);phosphorous acid?
The IUPAC name of bis(2-methylprop-1-ene);phosphorous acid (CID 175970460) is bis(2-methylprop-1-ene);phosphorous acid.
What is the SMILES notation for bis(2-methylprop-1-ene);phosphorous acid?
The canonical SMILES for bis(2-methylprop-1-ene);phosphorous acid is C=C(C)C.C=C(C)C.OP(O)O.
What is the InChIKey of bis(2-methylprop-1-ene);phosphorous acid?
The InChIKey is COFIDXCGGOJELU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8.H3O3P/c3*1-4(2)3/h2*1H2,2-3H3;1-3H.
What are the key properties of bis(2-methylprop-1-ene);phosphorous acid?
bis(2-methylprop-1-ene);phosphorous acid has a molecular weight of 194.21 g/mol, XLogP of 2.36, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-1-ene);phosphorous acid is sourced from PubChem (CID 175970460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).