1-[chloromethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-2,2-dimethylpropane

C10H21ClO3P- — CID 59862963

IUPAC1-[chloromethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-2,2-dimethylpropane
SMILESCC(C)(C)[CH-]P(=O)(OCCl)OC(C)(C)C
InChIInChI=1S/C10H21ClO3P/c1-9(2,3)7-15(12,13-8-11)14-10(4,5)6/h7H,8H2,1-6H3/q-1
InChIKeyXOMNYITWSWAKSP-UHFFFAOYSA-N
MW255.70 g/mol
LogP4.42
Rot. Bonds4

About 1-[chloromethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-2,2-dimethylpropane

1-[chloromethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-2,2-dimethylpropane (PubChem CID 59862963) has the molecular formula C10H21ClO3P- and a molecular weight of 255.70 g/mol. Its IUPAC name is 1-[chloromethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-2,2-dimethylpropane.

Molecular Properties

Compound Name1-[chloromethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-2,2-dimethylpropane
PubChem CID59862963
Molecular FormulaC10H21ClO3P-
Molecular Weight255.70 g/mol
Exact Mass255.09
IUPAC Name1-[chloromethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-2,2-dimethylpropane
SMILESCC(C)(C)[CH-]P(=O)(OCCl)OC(C)(C)C
InChIInChI=1S/C10H21ClO3P/c1-9(2,3)7-15(12,13-8-11)14-10(4,5)6/h7H,8H2,1-6H3/q-1
InChIKeyXOMNYITWSWAKSP-UHFFFAOYSA-N
XLogP4.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl chloromethyl methyl phosphate
CID 89409373
chloromethoxy-bis[(2-methylpropan-2-yl)oxy]-phosphanylidene-λ5-phosphane
CID 87622493
potassium;chloro(chlorosulfonyloxy)methane;ditert-butyl chloromethyl phosphate;ditert-butyl hydrogen phosphate
CID 158973567
CID 131873404
CID 131873404
ditert-butyl [(E)-octadec-9-enyl] phosphate
CID 87076842
chloro(iodo)methane;ditert-butyl chloromethyl phosphate;ditert-butyl phosphate;methane;tributylazanium
CID 169430874
tert-butyl bis(prop-2-ynyl) phosphate
CID 134297129
1-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]butane
CID 140980229
chloromethyl dimethyl phosphate
CID 88544336
potassium;chloro(chlorosulfonyloxy)methane;ditert-butyl chloromethyl phosphate;ditert-butyl phosphate;iodomethane
CID 162107188
tert-butyl 2-[hydroxy-[2-[hydroxy(methoxy)phosphoryl]oxyethoxy]phosphoryl]oxyethyl hydrogen phosphate
CID 157111782
ditert-butyl dec-9-enyl phosphate
CID 11405329

Frequently Asked Questions

What is the IUPAC name of 1-[chloromethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-2,2-dimethylpropane?
The IUPAC name of 1-[chloromethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-2,2-dimethylpropane (CID 59862963) is 1-[chloromethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-2,2-dimethylpropane.
What is the SMILES notation for 1-[chloromethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-2,2-dimethylpropane?
The canonical SMILES for 1-[chloromethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-2,2-dimethylpropane is CC(C)(C)[CH-]P(=O)(OCCl)OC(C)(C)C.
What is the InChIKey of 1-[chloromethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-2,2-dimethylpropane?
The InChIKey is XOMNYITWSWAKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO3P/c1-9(2,3)7-15(12,13-8-11)14-10(4,5)6/h7H,8H2,1-6H3/q-1.
What are the key properties of 1-[chloromethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-2,2-dimethylpropane?
1-[chloromethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-2,2-dimethylpropane has a molecular weight of 255.70 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloromethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-2,2-dimethylpropane is sourced from PubChem (CID 59862963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).