2-[(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide

C11H22O6P2 — CID 2778008

IUPAC2-[(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
SMILESCC1(C)COP(=O)(CP2(=O)OCC(C)(C)CO2)OC1
InChIInChI=1S/C11H22O6P2/c1-10(2)5-14-18(12,15-6-10)9-19(13)16-7-11(3,4)8-17-19/h5-9H2,1-4H3
InChIKeySBBDXNPCMKYRSF-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.48
Rot. Bonds2

About 2-[(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide

2-[(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide (PubChem CID 2778008) has the molecular formula C11H22O6P2 and a molecular weight of 312.24 g/mol. Its IUPAC name is 2-[(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-[(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
PubChem CID2778008
Molecular FormulaC11H22O6P2
Molecular Weight312.24 g/mol
Exact Mass312.09
IUPAC Name2-[(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
SMILESCC1(C)COP(=O)(CP2(=O)OCC(C)(C)CO2)OC1
InChIInChI=1S/C11H22O6P2/c1-10(2)5-14-18(12,15-6-10)9-19(13)16-7-11(3,4)8-17-19/h5-9H2,1-4H3
InChIKeySBBDXNPCMKYRSF-UHFFFAOYSA-N
XLogP3.48
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide with MolForge

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Launch Full Analysis

Related Compounds

Pentaerythritol spirobis(methylphosphonate)
CID 76350
1,3,2-Dioxaphosphorinane, 2,2'-oxybis(5,5-dimethyl-, 2,2'-disulfide
CID 77714
(5-Ethyl-2-methyl-2-oxido-1,3,2-dioxaphosphinan-5-yl)methyl methyl methylphosphonate
CID 94516
Bis((5-ethyl-2-methyl-1,3,2-dioxaphosphorinan-5-yl)methyl) methyl phosphonate P,P'-dioxide
CID 94526
2,2'-Oxybis(5,5-dimethyl-1,3,2-dioxaphosphorinane) 2,2'-dioxide
CID 77715
1,3,2-Dioxaphosphorinane, 2,2'-((2,2-dimethyl-1,3-propanediyl)bis(oxy))bis(5,5-dimethyl-
CID 101091
2,2'-Bi-1,3,2-dioxaphosphorinane, 5,5,5',5'-tetramethyl-, 2,2'-dioxide
CID 549736
1,3-Propanediol, 2,2-dimethyl-, bis(cyclic 2,2-dimethyltrimethylene phosphorothionate
CID 6432582
2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-diethoxy-
CID 81536
1,3,2-Dioxaphosphorinane, 2,2'-[(2,2-dimethyl-1,3-propanediyl)bis(oxy)]bis[5,5-dimethyl-, 2,2'-dioxide
CID 116956
2-[(5,5-Dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 3832089
(5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate
CID 371770

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The IUPAC name of 2-[(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide (CID 2778008) is 2-[(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2-[(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2-[(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide is CC1(C)COP(=O)(CP2(=O)OCC(C)(C)CO2)OC1.
What is the InChIKey of 2-[(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The InChIKey is SBBDXNPCMKYRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O6P2/c1-10(2)5-14-18(12,15-6-10)9-19(13)16-7-11(3,4)8-17-19/h5-9H2,1-4H3.
What are the key properties of 2-[(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
2-[(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide has a molecular weight of 312.24 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 2778008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).