methyl-oxo-(oxolan-2-ylmethoxy)phosphanium

C6H12O3P+ — CID 59116285

IUPACmethyl-oxo-(oxolan-2-ylmethoxy)phosphanium
SMILESC[P+](=O)OCC1CCCO1
InChIInChI=1S/C6H12O3P/c1-10(7)9-5-6-3-2-4-8-6/h6H,2-5H2,1H3/q+1
InChIKeyLVSMIAJRTBOTQV-UHFFFAOYSA-N
MW163.13 g/mol
LogP1.55
Rot. Bonds3

About methyl-oxo-(oxolan-2-ylmethoxy)phosphanium

methyl-oxo-(oxolan-2-ylmethoxy)phosphanium (PubChem CID 59116285) has the molecular formula C6H12O3P+ and a molecular weight of 163.13 g/mol. Its IUPAC name is methyl-oxo-(oxolan-2-ylmethoxy)phosphanium.

Molecular Properties

Compound Namemethyl-oxo-(oxolan-2-ylmethoxy)phosphanium
PubChem CID59116285
Molecular FormulaC6H12O3P+
Molecular Weight163.13 g/mol
Exact Mass163.05
IUPAC Namemethyl-oxo-(oxolan-2-ylmethoxy)phosphanium
SMILESC[P+](=O)OCC1CCCO1
InChIInChI=1S/C6H12O3P/c1-10(7)9-5-6-3-2-4-8-6/h6H,2-5H2,1H3/q+1
InChIKeyLVSMIAJRTBOTQV-UHFFFAOYSA-N
XLogP1.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
oxolan-2-ylmethyl 2-aminopropanoate;hydrochloride
CID 139215530
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
ethane;oxolan-2-ylmethoxythallium
CID 142985824
trimethyl(oxolan-2-ylmethoxy)silane
CID 551445
O-(oxolan-2-ylmethyl) ethanethioate
CID 91101390
oxolan-2-ylmethyl 2-aminopropanoate
CID 61279087
oxolan-2-ylmethyl hypochlorite
CID 22491519
(2R)-2-(sulfanyloxymethyl)oxolane
CID 139553525
2-(phosphorosooxymethyl)oxolane
CID 58971159
2-oxo-2-(oxolan-2-ylmethoxy)acetic acid
CID 154107225
oxolan-2-ylmethanol;hydrochloride
CID 155166529

Frequently Asked Questions

What is the IUPAC name of methyl-oxo-(oxolan-2-ylmethoxy)phosphanium?
The IUPAC name of methyl-oxo-(oxolan-2-ylmethoxy)phosphanium (CID 59116285) is methyl-oxo-(oxolan-2-ylmethoxy)phosphanium.
What is the SMILES notation for methyl-oxo-(oxolan-2-ylmethoxy)phosphanium?
The canonical SMILES for methyl-oxo-(oxolan-2-ylmethoxy)phosphanium is C[P+](=O)OCC1CCCO1.
What is the InChIKey of methyl-oxo-(oxolan-2-ylmethoxy)phosphanium?
The InChIKey is LVSMIAJRTBOTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3P/c1-10(7)9-5-6-3-2-4-8-6/h6H,2-5H2,1H3/q+1.
What are the key properties of methyl-oxo-(oxolan-2-ylmethoxy)phosphanium?
methyl-oxo-(oxolan-2-ylmethoxy)phosphanium has a molecular weight of 163.13 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-oxo-(oxolan-2-ylmethoxy)phosphanium is sourced from PubChem (CID 59116285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).