2,7-dimethyl-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide

C6H14O6P2 — CID 118422686

IUPAC2,7-dimethyl-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide
SMILESCP1(=O)OCCOP(C)(=O)OCCO1
InChIInChI=1S/C6H14O6P2/c1-13(7)9-3-5-11-14(2,8)12-6-4-10-13/h3-6H2,1-2H3
InChIKeyXSFGBIBIDGWGNT-UHFFFAOYSA-N
MW244.12 g/mol
LogP1.71
Rot. Bonds

About 2,7-dimethyl-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide

2,7-dimethyl-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide (PubChem CID 118422686) has the molecular formula C6H14O6P2 and a molecular weight of 244.12 g/mol. Its IUPAC name is 2,7-dimethyl-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide.

Molecular Properties

Compound Name2,7-dimethyl-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide
PubChem CID118422686
Molecular FormulaC6H14O6P2
Molecular Weight244.12 g/mol
Exact Mass244.03
IUPAC Name2,7-dimethyl-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide
SMILESCP1(=O)OCCOP(C)(=O)OCCO1
InChIInChI=1S/C6H14O6P2/c1-13(7)9-3-5-11-14(2,8)12-6-4-10-13/h3-6H2,1-2H3
InChIKeyXSFGBIBIDGWGNT-UHFFFAOYSA-N
XLogP1.71
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1,3,2lambda5-dioxaphosphocane 2-oxide
CID 12579739
5,5-dichloro-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 22107261
2-methyl-4-methylidene-1,3,2λ5-dioxaphosphinane 2-oxide
CID 149053753
4-ethynyl-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 89445968
ethane;7-methyl-6,8-dioxa-7λ5-phosphaspiro[3.5]nonane 7-oxide
CID 170747154
2-chloro-1,3,2λ5-dioxaphospholane 2-oxide;methane
CID 158606603
disodium bis(2-oxido-1,3,2λ5-dioxaphospholane 2-oxide)
CID 22145109
(2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl) acetate
CID 58529073
2-ethenyl-1,3,2λ5-dioxaphospholane 2-oxide
CID 23343607
2-oxa-1λ5,3λ5-diphosphabicyclo[1.1.0]butane 1,3-dioxide
CID 140978220
azane;(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine
CID 130404363
2-(3-methylbuta-1,2-dienyl)-1,3,2λ5-dioxaphospholane 2-oxide
CID 12841071

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide?
The IUPAC name of 2,7-dimethyl-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide (CID 118422686) is 2,7-dimethyl-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide.
What is the SMILES notation for 2,7-dimethyl-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide?
The canonical SMILES for 2,7-dimethyl-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide is CP1(=O)OCCOP(C)(=O)OCCO1.
What is the InChIKey of 2,7-dimethyl-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide?
The InChIKey is XSFGBIBIDGWGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O6P2/c1-13(7)9-3-5-11-14(2,8)12-6-4-10-13/h3-6H2,1-2H3.
What are the key properties of 2,7-dimethyl-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide?
2,7-dimethyl-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide has a molecular weight of 244.12 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide is sourced from PubChem (CID 118422686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).