(2R)-1-chloro-2-[di(propan-2-yl)phosphorylmethoxy]propane

C10H22ClO2P — CID 141131138

IUPAC(2R)-1-chloro-2-[di(propan-2-yl)phosphorylmethoxy]propane
SMILESCC(C)P(=O)(CO[C@H](C)CCl)C(C)C
InChIInChI=1S/C10H22ClO2P/c1-8(2)14(12,9(3)4)7-13-10(5)6-11/h8-10H,6-7H2,1-5H3/t10-/m1/s1
InChIKeyVPGJPVVIZRAKRD-SNVBAGLBSA-N
MW240.71 g/mol
LogP3.77
Rot. Bonds6

About (2R)-1-chloro-2-[di(propan-2-yl)phosphorylmethoxy]propane

(2R)-1-chloro-2-[di(propan-2-yl)phosphorylmethoxy]propane (PubChem CID 141131138) has the molecular formula C10H22ClO2P and a molecular weight of 240.71 g/mol. Its IUPAC name is (2R)-1-chloro-2-[di(propan-2-yl)phosphorylmethoxy]propane.

Molecular Properties

Compound Name(2R)-1-chloro-2-[di(propan-2-yl)phosphorylmethoxy]propane
PubChem CID141131138
Molecular FormulaC10H22ClO2P
Molecular Weight240.71 g/mol
Exact Mass240.10
IUPAC Name(2R)-1-chloro-2-[di(propan-2-yl)phosphorylmethoxy]propane
SMILESCC(C)P(=O)(CO[C@H](C)CCl)C(C)C
InChIInChI=1S/C10H22ClO2P/c1-8(2)14(12,9(3)4)7-13-10(5)6-11/h8-10H,6-7H2,1-5H3/t10-/m1/s1
InChIKeyVPGJPVVIZRAKRD-SNVBAGLBSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(2,2,2-trifluoroethyl)phosphorylmethoxy]-1-chloropropane
CID 141250491
tris[(2R)-1-chloropropan-2-yl] phosphate
CID 91827061
(2R)-1-chloro-2-[(2R)-1-chloropropan-2-yl]oxypropane
CID 6931072
1-chloro-2-[2-(2-chloroethoxy)ethoxy]propane
CID 4684876
1-[1-(1-chloropropan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 101356473
1-chloropropan-2-yloxysilane
CID 173192106
1-chloro-2-sulfanyloxypropane
CID 169091093
1-(1-chloropropan-2-yloxy)-2-(methoxymethoxy)propane
CID 158750835
[(2R)-1-aminopropan-2-yl]oxymethylphosphonic acid
CID 141337782
1-chloropropan-2-yl bis(3-chloropropyl) phosphate
CID 567512
bis(1-chloropropan-2-yloxy)phosphorylbenzene
CID 141448339
1-chloropropan-2-yl 2-chloropropyl hydrogen phosphate
CID 169434590

Frequently Asked Questions

What is the IUPAC name of (2R)-1-chloro-2-[di(propan-2-yl)phosphorylmethoxy]propane?
The IUPAC name of (2R)-1-chloro-2-[di(propan-2-yl)phosphorylmethoxy]propane (CID 141131138) is (2R)-1-chloro-2-[di(propan-2-yl)phosphorylmethoxy]propane.
What is the SMILES notation for (2R)-1-chloro-2-[di(propan-2-yl)phosphorylmethoxy]propane?
The canonical SMILES for (2R)-1-chloro-2-[di(propan-2-yl)phosphorylmethoxy]propane is CC(C)P(=O)(CO[C@H](C)CCl)C(C)C.
What is the InChIKey of (2R)-1-chloro-2-[di(propan-2-yl)phosphorylmethoxy]propane?
The InChIKey is VPGJPVVIZRAKRD-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H22ClO2P/c1-8(2)14(12,9(3)4)7-13-10(5)6-11/h8-10H,6-7H2,1-5H3/t10-/m1/s1.
What are the key properties of (2R)-1-chloro-2-[di(propan-2-yl)phosphorylmethoxy]propane?
(2R)-1-chloro-2-[di(propan-2-yl)phosphorylmethoxy]propane has a molecular weight of 240.71 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-chloro-2-[di(propan-2-yl)phosphorylmethoxy]propane is sourced from PubChem (CID 141131138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).