2-chloro-4,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide

C6H12ClO3P — CID 23261982

IUPAC2-chloro-4,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCC1CC(C)(C)OP(=O)(Cl)O1
InChIInChI=1S/C6H12ClO3P/c1-5-4-6(2,3)10-11(7,8)9-5/h5H,4H2,1-3H3
InChIKeyRPYJYZSVDZOUNI-UHFFFAOYSA-N
MW198.59 g/mol
LogP2.94
Rot. Bonds

About 2-chloro-4,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide

2-chloro-4,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 23261982) has the molecular formula C6H12ClO3P and a molecular weight of 198.59 g/mol. Its IUPAC name is 2-chloro-4,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-chloro-4,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID23261982
Molecular FormulaC6H12ClO3P
Molecular Weight198.59 g/mol
Exact Mass198.02
IUPAC Name2-chloro-4,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCC1CC(C)(C)OP(=O)(Cl)O1
InChIInChI=1S/C6H12ClO3P/c1-5-4-6(2,3)10-11(7,8)9-5/h5H,4H2,1-3H3
InChIKeyRPYJYZSVDZOUNI-UHFFFAOYSA-N
XLogP2.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.59
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(2S,6S)-N-tert-butyl-4,4,6-trimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinan-2-amine
CID 23416270
(2R,6R)-6-tert-butyl-2-chloro-4,4-bis(trifluoromethyl)-1,3,2λ5-dioxaphosphinane 2-oxide
CID 97291462
4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide
CID 6329151
2,4,4,8,10,10-hexamethyl-1,5,7,11-tetraoxa-6-silaspiro[5.5]undecane
CID 13268664
2,4,4,6-tetramethyl-1,3,2-dioxaborinane
CID 537474
(4R,6S)-4-chloro-2,2,6-trimethyloxane
CID 131845462
CID 153346333
CID 153346333
2-fluoro-4,6-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 12729221
2,4,4,5-tetramethyloxane
CID 142990175
(2S,3S,4R,6S)-4-methoxy-2,3,4,6-tetramethyloxane
CID 89274647
(2R,6S)-4,4,6-trimethyl-2-octyl-1,3-dioxane
CID 98092863
(6S)-2-methoxy-4,4,6-trimethyl-1,3,2-dioxaborinane
CID 99779837

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 2-chloro-4,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide (CID 23261982) is 2-chloro-4,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2-chloro-4,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2-chloro-4,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide is CC1CC(C)(C)OP(=O)(Cl)O1.
What is the InChIKey of 2-chloro-4,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is RPYJYZSVDZOUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClO3P/c1-5-4-6(2,3)10-11(7,8)9-5/h5H,4H2,1-3H3.
What are the key properties of 2-chloro-4,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
2-chloro-4,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 198.59 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 23261982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).