butane;ethene;1-[ethoxy(methyl)phosphoryl]oxyethane;methane;1-[methoxy(methyl)phosphoryl]oxyethane;propane

C21H58O6P2 — CID 160544478

IUPACbutane;ethene;1-[ethoxy(methyl)phosphoryl]oxyethane;methane;1-[methoxy(methyl)phosphoryl]oxyethane;propane
SMILESC.C.C.C=C.CCC.CCCC.CCOP(C)(=O)OC.CCOP(C)(=O)OCC
InChIInChI=1S/C5H13O3P.C4H11O3P.C4H10.C3H8.C2H4.3CH4/c1-4-7-9(3,6)8-5-2;1-4-7-8(3,5)6-2;1-3-4-2;1-3-2;1-2;;;/h4-5H2,1-3H3;4H2,1-3H3;3-4H2,1-2H3;3H2,1-2H3;1-2H2;3*1H4
InChIKeyQXFVULLVWHOBNM-UHFFFAOYSA-N
MW468.64 g/mol
LogP9.31
Rot. Bonds8

About butane;ethene;1-[ethoxy(methyl)phosphoryl]oxyethane;methane;1-[methoxy(methyl)phosphoryl]oxyethane;propane

butane;ethene;1-[ethoxy(methyl)phosphoryl]oxyethane;methane;1-[methoxy(methyl)phosphoryl]oxyethane;propane (PubChem CID 160544478) has the molecular formula C21H58O6P2 and a molecular weight of 468.64 g/mol. Its IUPAC name is butane;ethene;1-[ethoxy(methyl)phosphoryl]oxyethane;methane;1-[methoxy(methyl)phosphoryl]oxyethane;propane.

Molecular Properties

Compound Namebutane;ethene;1-[ethoxy(methyl)phosphoryl]oxyethane;methane;1-[methoxy(methyl)phosphoryl]oxyethane;propane
PubChem CID160544478
Molecular FormulaC21H58O6P2
Molecular Weight468.64 g/mol
Exact Mass468.37
IUPAC Namebutane;ethene;1-[ethoxy(methyl)phosphoryl]oxyethane;methane;1-[methoxy(methyl)phosphoryl]oxyethane;propane
SMILESC.C.C.C=C.CCC.CCCC.CCOP(C)(=O)OC.CCOP(C)(=O)OCC
InChIInChI=1S/C5H13O3P.C4H11O3P.C4H10.C3H8.C2H4.3CH4/c1-4-7-9(3,6)8-5-2;1-4-7-8(3,5)6-2;1-3-4-2;1-3-2;1-2;;;/h4-5H2,1-3H3;4H2,1-3H3;3-4H2,1-2H3;3H2,1-2H3;1-2H2;3*1H4
InChIKeyQXFVULLVWHOBNM-UHFFFAOYSA-N
XLogP9.31
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.64
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Phosphonic acid, 1-(hydroxyvinyl)-, dimethyl ester, diethyl phosphate
CID 67176
Phosphonic acid, (1-hydroxyvinyl)-, diethyl ester, dimethyl phosphate
CID 3047931
Tetrabutyl methylene-diphosphonate
CID 11338541
Phosphoric acid, 1-(diethoxyphosphinyl)ethenyl diethyl ester
CID 11723261
Tetraethyl vinylidene phosphonate
CID 11022954
Tetrabutyl ethylene diphosphonate
CID 13661369
1-[2-[2-[Butoxy(methyl)phosphoryl]oxyethoxy-ethenylphosphoryl]oxyethoxy-methylphosphoryl]oxybutane
CID 40806
tributyl-[(Z)-1-diethoxyphosphoryl-2-ethoxyethenyl]stannane
CID 10696622
Diethyl {1-[(diethoxyphosphanyl)oxy]ethenyl}phosphonate
CID 12545895
2-[[(E)-2-di(propan-2-yloxy)phosphorylethenyl]-propan-2-yloxyphosphoryl]oxypropane
CID 14906509
Diethyl 2-(diethoxyphosphoryl)ethenyl phosphate
CID 85968017
Tetra-n-propyl ethenylidenebisphosphonate
CID 13661368

Frequently Asked Questions

What is the IUPAC name of butane;ethene;1-[ethoxy(methyl)phosphoryl]oxyethane;methane;1-[methoxy(methyl)phosphoryl]oxyethane;propane?
The IUPAC name of butane;ethene;1-[ethoxy(methyl)phosphoryl]oxyethane;methane;1-[methoxy(methyl)phosphoryl]oxyethane;propane (CID 160544478) is butane;ethene;1-[ethoxy(methyl)phosphoryl]oxyethane;methane;1-[methoxy(methyl)phosphoryl]oxyethane;propane.
What is the SMILES notation for butane;ethene;1-[ethoxy(methyl)phosphoryl]oxyethane;methane;1-[methoxy(methyl)phosphoryl]oxyethane;propane?
The canonical SMILES for butane;ethene;1-[ethoxy(methyl)phosphoryl]oxyethane;methane;1-[methoxy(methyl)phosphoryl]oxyethane;propane is C.C.C.C=C.CCC.CCCC.CCOP(C)(=O)OC.CCOP(C)(=O)OCC.
What is the InChIKey of butane;ethene;1-[ethoxy(methyl)phosphoryl]oxyethane;methane;1-[methoxy(methyl)phosphoryl]oxyethane;propane?
The InChIKey is QXFVULLVWHOBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O3P.C4H11O3P.C4H10.C3H8.C2H4.3CH4/c1-4-7-9(3,6)8-5-2;1-4-7-8(3,5)6-2;1-3-4-2;1-3-2;1-2;;;/h4-5H2,1-3H3;4H2,1-3H3;3-4H2,1-2H3;3H2,1-2H3;1-2H2;3*1H4.
What are the key properties of butane;ethene;1-[ethoxy(methyl)phosphoryl]oxyethane;methane;1-[methoxy(methyl)phosphoryl]oxyethane;propane?
butane;ethene;1-[ethoxy(methyl)phosphoryl]oxyethane;methane;1-[methoxy(methyl)phosphoryl]oxyethane;propane has a molecular weight of 468.64 g/mol, XLogP of 9.31, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethene;1-[ethoxy(methyl)phosphoryl]oxyethane;methane;1-[methoxy(methyl)phosphoryl]oxyethane;propane is sourced from PubChem (CID 160544478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).