[(E)-1-bromoprop-1-en-2-yl] dimethyl phosphate

C5H10BrO4P — CID 5371580

IUPAC[(E)-1-bromoprop-1-en-2-yl] dimethyl phosphate
SMILESCOP(=O)(OC)O/C(C)=C/Br
InChIInChI=1S/C5H10BrO4P/c1-5(4-6)10-11(7,8-2)9-3/h4H,1-3H3/b5-4+
InChIKeyFGEGCNPCBGUJHD-SNAWJCMRSA-N
MW245.01 g/mol
LogP2.66
Rot. Bonds4

About [(E)-1-bromoprop-1-en-2-yl] dimethyl phosphate

[(E)-1-bromoprop-1-en-2-yl] dimethyl phosphate (PubChem CID 5371580) has the molecular formula C5H10BrO4P and a molecular weight of 245.01 g/mol. Its IUPAC name is [(E)-1-bromoprop-1-en-2-yl] dimethyl phosphate.

Molecular Properties

Compound Name[(E)-1-bromoprop-1-en-2-yl] dimethyl phosphate
PubChem CID5371580
Molecular FormulaC5H10BrO4P
Molecular Weight245.01 g/mol
Exact Mass243.95
IUPAC Name[(E)-1-bromoprop-1-en-2-yl] dimethyl phosphate
SMILESCOP(=O)(OC)O/C(C)=C/Br
InChIInChI=1S/C5H10BrO4P/c1-5(4-6)10-11(7,8-2)9-3/h4H,1-3H3/b5-4+
InChIKeyFGEGCNPCBGUJHD-SNAWJCMRSA-N
XLogP2.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.01
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-bromoprop-1-en-2-yl] dimethyl phosphate?
The IUPAC name of [(E)-1-bromoprop-1-en-2-yl] dimethyl phosphate (CID 5371580) is [(E)-1-bromoprop-1-en-2-yl] dimethyl phosphate.
What is the SMILES notation for [(E)-1-bromoprop-1-en-2-yl] dimethyl phosphate?
The canonical SMILES for [(E)-1-bromoprop-1-en-2-yl] dimethyl phosphate is COP(=O)(OC)O/C(C)=C/Br.
What is the InChIKey of [(E)-1-bromoprop-1-en-2-yl] dimethyl phosphate?
The InChIKey is FGEGCNPCBGUJHD-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H10BrO4P/c1-5(4-6)10-11(7,8-2)9-3/h4H,1-3H3/b5-4+.
What are the key properties of [(E)-1-bromoprop-1-en-2-yl] dimethyl phosphate?
[(E)-1-bromoprop-1-en-2-yl] dimethyl phosphate has a molecular weight of 245.01 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-bromoprop-1-en-2-yl] dimethyl phosphate is sourced from PubChem (CID 5371580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).