(E)-4-dimethylphosphorylbut-3-en-1-ol

C6H13O2P — CID 59068889

IUPAC(E)-4-dimethylphosphorylbut-3-en-1-ol
SMILESCP(C)(=O)/C=C/CCO
InChIInChI=1S/C6H13O2P/c1-9(2,8)6-4-3-5-7/h4,6-7H,3,5H2,1-2H3/b6-4+
InChIKeyWRJFPQCDDRIZLZ-GQCTYLIASA-N
MW148.14 g/mol
LogP1.51
Rot. Bonds3

About (E)-4-dimethylphosphorylbut-3-en-1-ol

(E)-4-dimethylphosphorylbut-3-en-1-ol (PubChem CID 59068889) has the molecular formula C6H13O2P and a molecular weight of 148.14 g/mol. Its IUPAC name is (E)-4-dimethylphosphorylbut-3-en-1-ol.

Molecular Properties

Compound Name(E)-4-dimethylphosphorylbut-3-en-1-ol
PubChem CID59068889
Molecular FormulaC6H13O2P
Molecular Weight148.14 g/mol
Exact Mass148.07
IUPAC Name(E)-4-dimethylphosphorylbut-3-en-1-ol
SMILESCP(C)(=O)/C=C/CCO
InChIInChI=1S/C6H13O2P/c1-9(2,8)6-4-3-5-7/h4,6-7H,3,5H2,1-2H3/b6-4+
InChIKeyWRJFPQCDDRIZLZ-GQCTYLIASA-N
XLogP1.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butan-2-yloxy(4-hydroxybut-1-enyl)phosphinic acid
CID 173363421
acetic acid;but-1-ene-1,4-diol
CID 57358224
(E)-4-iodobut-3-en-1-ol
CID 10821775
hex-3-en-1-ol;propanoic acid
CID 71381024
but-3-en-1-ol;(E)-pent-3-en-1-ol
CID 88803615
pent-1-enylphosphonic acid
CID 54140925
(E)-5-hydroxy-2-methylpent-2-enoic acid;phosphoric acid
CID 87164538
ethyl (E)-5-hydroxypent-2-enoate
CID 13062577
4-hydroxybut-1-enyl prop-2-enoate
CID 141007650
8-hydroxyoct-5-enoic acid
CID 86081855
(3E)-5,5-dimethylhepta-3,6-dien-1-ol
CID 10441786
hex-3-en-1-ol;2-methylidenebutanedioic acid
CID 174232748

Frequently Asked Questions

What is the IUPAC name of (E)-4-dimethylphosphorylbut-3-en-1-ol?
The IUPAC name of (E)-4-dimethylphosphorylbut-3-en-1-ol (CID 59068889) is (E)-4-dimethylphosphorylbut-3-en-1-ol.
What is the SMILES notation for (E)-4-dimethylphosphorylbut-3-en-1-ol?
The canonical SMILES for (E)-4-dimethylphosphorylbut-3-en-1-ol is CP(C)(=O)/C=C/CCO.
What is the InChIKey of (E)-4-dimethylphosphorylbut-3-en-1-ol?
The InChIKey is WRJFPQCDDRIZLZ-GQCTYLIASA-N. The full InChI is InChI=1S/C6H13O2P/c1-9(2,8)6-4-3-5-7/h4,6-7H,3,5H2,1-2H3/b6-4+.
What are the key properties of (E)-4-dimethylphosphorylbut-3-en-1-ol?
(E)-4-dimethylphosphorylbut-3-en-1-ol has a molecular weight of 148.14 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-dimethylphosphorylbut-3-en-1-ol is sourced from PubChem (CID 59068889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).