ethoxy-(3-methylbut-3-enyl)-oxophosphanium

C7H14O2P+ — CID 56981456

IUPACethoxy-(3-methylbut-3-enyl)-oxophosphanium
SMILESC=C(C)CC[P+](=O)OCC
InChIInChI=1S/C7H14O2P/c1-4-9-10(8)6-5-7(2)3/h2,4-6H2,1,3H3/q+1
InChIKeyFEXLIVWXNUMSFP-UHFFFAOYSA-N
MW161.16 g/mol
LogP2.73
Rot. Bonds5

About ethoxy-(3-methylbut-3-enyl)-oxophosphanium

ethoxy-(3-methylbut-3-enyl)-oxophosphanium (PubChem CID 56981456) has the molecular formula C7H14O2P+ and a molecular weight of 161.16 g/mol. Its IUPAC name is ethoxy-(3-methylbut-3-enyl)-oxophosphanium.

Molecular Properties

Compound Nameethoxy-(3-methylbut-3-enyl)-oxophosphanium
PubChem CID56981456
Molecular FormulaC7H14O2P+
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Nameethoxy-(3-methylbut-3-enyl)-oxophosphanium
SMILESC=C(C)CC[P+](=O)OCC
InChIInChI=1S/C7H14O2P/c1-4-9-10(8)6-5-7(2)3/h2,4-6H2,1,3H3/q+1
InChIKeyFEXLIVWXNUMSFP-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxy-(3-methylbut-3-enyl)-oxophosphanium?
The IUPAC name of ethoxy-(3-methylbut-3-enyl)-oxophosphanium (CID 56981456) is ethoxy-(3-methylbut-3-enyl)-oxophosphanium.
What is the SMILES notation for ethoxy-(3-methylbut-3-enyl)-oxophosphanium?
The canonical SMILES for ethoxy-(3-methylbut-3-enyl)-oxophosphanium is C=C(C)CC[P+](=O)OCC.
What is the InChIKey of ethoxy-(3-methylbut-3-enyl)-oxophosphanium?
The InChIKey is FEXLIVWXNUMSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2P/c1-4-9-10(8)6-5-7(2)3/h2,4-6H2,1,3H3/q+1.
What are the key properties of ethoxy-(3-methylbut-3-enyl)-oxophosphanium?
ethoxy-(3-methylbut-3-enyl)-oxophosphanium has a molecular weight of 161.16 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(3-methylbut-3-enyl)-oxophosphanium is sourced from PubChem (CID 56981456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).