2-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]oxy-3-methylpentane

C13H29O3P — CID 170850671

IUPAC2-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]oxy-3-methylpentane
SMILESCCC(C)C(C)OP(C)(=O)OC(C)C(C)(C)C
InChIInChI=1S/C13H29O3P/c1-9-10(2)11(3)15-17(8,14)16-12(4)13(5,6)7/h10-12H,9H2,1-8H3
InChIKeyBIIRVVPSWTXQSB-UHFFFAOYSA-N
MW264.35 g/mol
LogP4.71
Rot. Bonds6

About 2-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]oxy-3-methylpentane

2-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]oxy-3-methylpentane (PubChem CID 170850671) has the molecular formula C13H29O3P and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]oxy-3-methylpentane.

Molecular Properties

Compound Name2-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]oxy-3-methylpentane
PubChem CID170850671
Molecular FormulaC13H29O3P
Molecular Weight264.35 g/mol
Exact Mass264.19
IUPAC Name2-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]oxy-3-methylpentane
SMILESCCC(C)C(C)OP(C)(=O)OC(C)C(C)(C)C
InChIInChI=1S/C13H29O3P/c1-9-10(2)11(3)15-17(8,14)16-12(4)13(5,6)7/h10-12H,9H2,1-8H3
InChIKeyBIIRVVPSWTXQSB-UHFFFAOYSA-N
XLogP4.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 54.71
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

(3R)-3-[chloro(methyl)phosphoryl]oxy-2,2-dimethylbutane
CID 129373323
3-[ethoxy(ethyl)phosphoryl]oxy-2,2-dimethylbutane
CID 170850874
3-[2-ethylsulfanylethylsulfanyl(methyl)phosphoryl]oxy-2,2-dimethylbutane
CID 90470717
fluoro-methoxy-oxophosphanium;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane
CID 87088573
(3R)-2,3-dimethylpentane;ethane;ethene
CID 178131669
3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane;2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 154984089
[3,3-dimethylbutan-2-yloxy-[propan-2-yl(propyl)amino]phosphoryl]formonitrile
CID 170850650
2,3-dimethylpentane;ethane;methane
CID 143379754
butan-2-yloxy(tert-butyl)phosphinic acid
CID 118610091
trihydroxy-[1-[methyl(1-trihydroxysilylpropoxy)phosphoryl]oxypropyl]silane
CID 87097303
[3,3-dimethylbutan-2-yloxy(phenyl)phosphoryl]benzene
CID 12869475
4-[4-[[(2R)-3,3-dimethylbutan-2-yl]oxy-methylphosphoryl]oxyanilino]-4-oxobutanoic acid
CID 40543814

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]oxy-3-methylpentane?
The IUPAC name of 2-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]oxy-3-methylpentane (CID 170850671) is 2-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]oxy-3-methylpentane.
What is the SMILES notation for 2-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]oxy-3-methylpentane?
The canonical SMILES for 2-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]oxy-3-methylpentane is CCC(C)C(C)OP(C)(=O)OC(C)C(C)(C)C.
What is the InChIKey of 2-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]oxy-3-methylpentane?
The InChIKey is BIIRVVPSWTXQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29O3P/c1-9-10(2)11(3)15-17(8,14)16-12(4)13(5,6)7/h10-12H,9H2,1-8H3.
What are the key properties of 2-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]oxy-3-methylpentane?
2-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]oxy-3-methylpentane has a molecular weight of 264.35 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]oxy-3-methylpentane is sourced from PubChem (CID 170850671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).