methane;methylidene-tris(2-methylpropoxy)-λ5-phosphane

C14H33O3P — CID 158113780

IUPACmethane;methylidene-tris(2-methylpropoxy)-λ5-phosphane
SMILESC.C=P(OCC(C)C)(OCC(C)C)OCC(C)C
InChIInChI=1S/C13H29O3P.CH4/c1-11(2)8-14-17(7,15-9-12(3)4)16-10-13(5)6;/h11-13H,7-10H2,1-6H3;1H4
InChIKeyFQTHLHNGFNUATL-UHFFFAOYSA-N
MW280.39 g/mol
LogP4.83
Rot. Bonds9

About methane;methylidene-tris(2-methylpropoxy)-λ5-phosphane

methane;methylidene-tris(2-methylpropoxy)-λ5-phosphane (PubChem CID 158113780) has the molecular formula C14H33O3P and a molecular weight of 280.39 g/mol. Its IUPAC name is methane;methylidene-tris(2-methylpropoxy)-λ5-phosphane.

Molecular Properties

Compound Namemethane;methylidene-tris(2-methylpropoxy)-λ5-phosphane
PubChem CID158113780
Molecular FormulaC14H33O3P
Molecular Weight280.39 g/mol
Exact Mass280.22
IUPAC Namemethane;methylidene-tris(2-methylpropoxy)-λ5-phosphane
SMILESC.C=P(OCC(C)C)(OCC(C)C)OCC(C)C
InChIInChI=1S/C13H29O3P.CH4/c1-11(2)8-14-17(7,15-9-12(3)4)16-10-13(5)6;/h11-13H,7-10H2,1-6H3;1H4
InChIKeyFQTHLHNGFNUATL-UHFFFAOYSA-N
XLogP4.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methane;2-methyl-1-(2-methylpropoxy)propane
CID 162245040
cobalt(2+);tetrakis([tris(2-methylpropoxy)-λ5-phosphanylidene]oxidanium);dihydroxide
CID 5150268
2-methylpropyl phosphate
CID 22629809
2-methyl-1-[methyl(propoxy)phosphoryl]oxypropane
CID 86168978
disodium;2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane
CID 90022851
zinc bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane)
CID 12504431
copper bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane)
CID 87595607
1-[bis(2-methylpropoxy)phosphorylsulfanyl-(2-methylpropoxy)phosphoryl]oxy-2-methylpropane
CID 134977347
azanium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane
CID 171480655
1-[2-methoxyethoxy(methyl)phosphoryl]oxy-2-methylpropane
CID 170850888
2-methylpropyl dipropan-2-yl phosphate
CID 10728615
butoxy-ethylsulfanyl-methylidene-(2-methylpropoxy)-λ5-phosphane
CID 19708239

Frequently Asked Questions

What is the IUPAC name of methane;methylidene-tris(2-methylpropoxy)-λ5-phosphane?
The IUPAC name of methane;methylidene-tris(2-methylpropoxy)-λ5-phosphane (CID 158113780) is methane;methylidene-tris(2-methylpropoxy)-λ5-phosphane.
What is the SMILES notation for methane;methylidene-tris(2-methylpropoxy)-λ5-phosphane?
The canonical SMILES for methane;methylidene-tris(2-methylpropoxy)-λ5-phosphane is C.C=P(OCC(C)C)(OCC(C)C)OCC(C)C.
What is the InChIKey of methane;methylidene-tris(2-methylpropoxy)-λ5-phosphane?
The InChIKey is FQTHLHNGFNUATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29O3P.CH4/c1-11(2)8-14-17(7,15-9-12(3)4)16-10-13(5)6;/h11-13H,7-10H2,1-6H3;1H4.
What are the key properties of methane;methylidene-tris(2-methylpropoxy)-λ5-phosphane?
methane;methylidene-tris(2-methylpropoxy)-λ5-phosphane has a molecular weight of 280.39 g/mol, XLogP of 4.83, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methylidene-tris(2-methylpropoxy)-λ5-phosphane is sourced from PubChem (CID 158113780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).