[2-(chloromethyl)-2-methylbut-3-enoxy]-oxido-oxophosphanium

C6H10ClO3P — CID 172813445

IUPAC[2-(chloromethyl)-2-methylbut-3-enoxy]-oxido-oxophosphanium
SMILESC=CC(C)(CCl)CO[P+](=O)[O-]
InChIInChI=1S/C6H10ClO3P/c1-3-6(2,4-7)5-10-11(8)9/h3H,1,4-5H2,2H3
InChIKeySMOHJXFGQOWHMQ-UHFFFAOYSA-N
MW196.57 g/mol
LogP1.45
Rot. Bonds5

About [2-(chloromethyl)-2-methylbut-3-enoxy]-oxido-oxophosphanium

[2-(chloromethyl)-2-methylbut-3-enoxy]-oxido-oxophosphanium (PubChem CID 172813445) has the molecular formula C6H10ClO3P and a molecular weight of 196.57 g/mol. Its IUPAC name is [2-(chloromethyl)-2-methylbut-3-enoxy]-oxido-oxophosphanium.

Molecular Properties

Compound Name[2-(chloromethyl)-2-methylbut-3-enoxy]-oxido-oxophosphanium
PubChem CID172813445
Molecular FormulaC6H10ClO3P
Molecular Weight196.57 g/mol
Exact Mass196.01
IUPAC Name[2-(chloromethyl)-2-methylbut-3-enoxy]-oxido-oxophosphanium
SMILESC=CC(C)(CCl)CO[P+](=O)[O-]
InChIInChI=1S/C6H10ClO3P/c1-3-6(2,4-7)5-10-11(8)9/h3H,1,4-5H2,2H3
InChIKeySMOHJXFGQOWHMQ-UHFFFAOYSA-N
XLogP1.45
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.57
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-3,5-dimethylhex-1-ene
CID 102642065
3-(chloromethyl)-5-ethylsulfanyl-3-methylpent-1-ene
CID 102642075
hydroxymethoxy-oxido-oxophosphanium
CID 152749176
3-(chloromethyl)-3-methyl-5-(trifluoromethylsulfanyl)pent-1-ene
CID 102642086
hydroxy-(2-hydroxy-2-methyl-3-oxopent-4-enoxy)-oxophosphanium
CID 174761402
(2,3-dihydroxy-3-methyl-4-oxobutoxy)-oxido-oxophosphanium
CID 175326602
dichloromethane;hafnium(4+);bis(oxido-oxo-phosphooxyphosphanium)
CID 157120314
dichloromethane;bis(oxido-oxo-phosphooxyphosphanium);titanium(4+)
CID 159631897
chloromethane;mercury(2+);oxido-oxo-phosphooxyphosphanium
CID 88679481
dipotassium;dichloromethane;oxido-oxo-phosphooxyphosphanium
CID 159198248
sodium [bis(prop-2-enyl)amino]methoxy-oxido-oxophosphanium
CID 170161405
[4-(chloromethyl)-4-methylhex-5-enoxy]benzene
CID 102641999

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-2-methylbut-3-enoxy]-oxido-oxophosphanium?
The IUPAC name of [2-(chloromethyl)-2-methylbut-3-enoxy]-oxido-oxophosphanium (CID 172813445) is [2-(chloromethyl)-2-methylbut-3-enoxy]-oxido-oxophosphanium.
What is the SMILES notation for [2-(chloromethyl)-2-methylbut-3-enoxy]-oxido-oxophosphanium?
The canonical SMILES for [2-(chloromethyl)-2-methylbut-3-enoxy]-oxido-oxophosphanium is C=CC(C)(CCl)CO[P+](=O)[O-].
What is the InChIKey of [2-(chloromethyl)-2-methylbut-3-enoxy]-oxido-oxophosphanium?
The InChIKey is SMOHJXFGQOWHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClO3P/c1-3-6(2,4-7)5-10-11(8)9/h3H,1,4-5H2,2H3.
What are the key properties of [2-(chloromethyl)-2-methylbut-3-enoxy]-oxido-oxophosphanium?
[2-(chloromethyl)-2-methylbut-3-enoxy]-oxido-oxophosphanium has a molecular weight of 196.57 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-2-methylbut-3-enoxy]-oxido-oxophosphanium is sourced from PubChem (CID 172813445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).