2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol;2-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol

C14H30O10P2 — CID 160853241

IUPAC2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol;2-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol
SMILESCC(C)(CO)COP1(=O)COCCO1.O=P1(COCCO)OCCCO1
InChIInChI=1S/C8H17O5P.C6H13O5P/c1-8(2,5-9)6-13-14(10)7-11-3-4-12-14;7-2-5-9-6-12(8)10-3-1-4-11-12/h9H,3-7H2,1-2H3;7H,1-6H2
InChIKeySJNPVPBNMWPOGB-UHFFFAOYSA-N
MW420.33 g/mol
LogP1.80
Rot. Bonds8

About 2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol;2-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol

2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol;2-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol (PubChem CID 160853241) has the molecular formula C14H30O10P2 and a molecular weight of 420.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol;2-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol;2-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol
PubChem CID160853241
Molecular FormulaC14H30O10P2
Molecular Weight420.33 g/mol
Exact Mass420.13
IUPAC Name2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol;2-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol
SMILESCC(C)(CO)COP1(=O)COCCO1.O=P1(COCCO)OCCCO1
InChIInChI=1S/C8H17O5P.C6H13O5P/c1-8(2,5-9)6-13-14(10)7-11-3-4-12-14;7-2-5-9-6-12(8)10-3-1-4-11-12/h9H,3-7H2,1-2H3;7H,1-6H2
InChIKeySJNPVPBNMWPOGB-UHFFFAOYSA-N
XLogP1.80
TPSA129.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol;2-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol with MolForge

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Launch Full Analysis

Related Compounds

2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethanol
CID 59760775
3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol
CID 14512536
1,4-dioxane;2-[(2-methylpropan-2-yl)oxy]ethanol
CID 68830472
2,2-dimethylpropane-1,3-diol;3-hydroxy-2,2-dimethylpropanoic acid;2-(2-hydroxyethoxy)ethanol
CID 87452046
2-hydroxyethyl 2-methyl-3-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)prop-2-enoate
CID 175502794
2,2-dimethoxypropan-1-ol;2-(2,2-dimethoxypropoxy)ethanol
CID 160953059
3-ethoxy-2,2-dimethylpropan-1-ol
CID 12698285
benzene-1,4-diol;2,2-dimethylpropane-1,3-diol;2-(2-hydroxyethoxy)ethanol
CID 67171689
39-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,4,7,10,13,16,19,22,25,28,31,34,37,40,44,47,50,53,56,59,62,65,68,71-tetracosaoxacyclotetraheptacontan-42-ol
CID 100966010
tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-propoxyethoxy)ethoxy]propanoate;oxolane
CID 167602576
3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropan-1-ol
CID 58571429
3-methoxy-2,2-dimethylpropan-1-ol;phosphorous acid
CID 87707979

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol;2-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol?
The IUPAC name of 2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol;2-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol (CID 160853241) is 2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol;2-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol.
What is the SMILES notation for 2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol;2-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol?
The canonical SMILES for 2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol;2-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol is CC(C)(CO)COP1(=O)COCCO1.O=P1(COCCO)OCCCO1.
What is the InChIKey of 2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol;2-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol?
The InChIKey is SJNPVPBNMWPOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O5P.C6H13O5P/c1-8(2,5-9)6-13-14(10)7-11-3-4-12-14;7-2-5-9-6-12(8)10-3-1-4-11-12/h9H,3-7H2,1-2H3;7H,1-6H2.
What are the key properties of 2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol;2-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol?
2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol;2-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol has a molecular weight of 420.33 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2-oxo-1,4,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol;2-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]ethanol is sourced from PubChem (CID 160853241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).