2-chloro-2,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium

C6H13ClO2P+ — CID 101355501

IUPAC2-chloro-2,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium
SMILESCC1CC(C)O[P+](C)(Cl)O1
InChIInChI=1S/C6H13ClO2P/c1-5-4-6(2)9-10(3,7)8-5/h5-6H,4H2,1-3H3/q+1
InChIKeyOPGZWOJXIRWYDT-UHFFFAOYSA-N
MW183.59 g/mol
LogP2.83
Rot. Bonds

About 2-chloro-2,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium

2-chloro-2,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium (PubChem CID 101355501) has the molecular formula C6H13ClO2P+ and a molecular weight of 183.59 g/mol. Its IUPAC name is 2-chloro-2,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium.

Molecular Properties

Compound Name2-chloro-2,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium
PubChem CID101355501
Molecular FormulaC6H13ClO2P+
Molecular Weight183.59 g/mol
Exact Mass183.03
IUPAC Name2-chloro-2,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium
SMILESCC1CC(C)O[P+](C)(Cl)O1
InChIInChI=1S/C6H13ClO2P/c1-5-4-6(2)9-10(3,7)8-5/h5-6H,4H2,1-3H3/q+1
InChIKeyOPGZWOJXIRWYDT-UHFFFAOYSA-N
XLogP2.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.59
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,6R)-4-chloro-2,6-dimethyloxane
CID 124564332
trans-(1R,2R)-1-chloro-2-methylcyclopropane
CID 57480697
cis-(1S,2R)-1-chloro-2-methylcyclopropane
CID 130909377
2-iodo-4,6-dimethyl-1,3-dioxane
CID 129213139
(4R,6S)-2-(chloromethyl)-2,4,6-trimethyl-1,3-dioxane
CID 102351638
(4R,6S)-4,6-dimethyl-1,3,2-dioxathiane 2-oxide
CID 10920682
2-chloro-5-methyloxolane
CID 69273626
(4R,6S)-4-chloro-2,2,6-trimethyloxane
CID 131845462
4,6-dimethyl-2,2-di(propan-2-yl)-1,3-dioxane
CID 70641039
2,6-dimethyloxane;2,4-dimethyloxetane;2,5-dimethyloxolane
CID 162224348
CID 163498360
CID 163498360
2-methyloxirane;polane
CID 173240072

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium?
The IUPAC name of 2-chloro-2,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium (CID 101355501) is 2-chloro-2,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium.
What is the SMILES notation for 2-chloro-2,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium?
The canonical SMILES for 2-chloro-2,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium is CC1CC(C)O[P+](C)(Cl)O1.
What is the InChIKey of 2-chloro-2,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium?
The InChIKey is OPGZWOJXIRWYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClO2P/c1-5-4-6(2)9-10(3,7)8-5/h5-6H,4H2,1-3H3/q+1.
What are the key properties of 2-chloro-2,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium?
2-chloro-2,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium has a molecular weight of 183.59 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium is sourced from PubChem (CID 101355501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).