[(3R,4S)-4-(chloromethoxycarbonyloxy)oxolan-3-yl] chloromethyl carbonate

C8H10Cl2O7 — CID 102394469

IUPAC[(3R,4S)-4-(chloromethoxycarbonyloxy)oxolan-3-yl] chloromethyl carbonate
SMILESO=C(OCCl)O[C@H]1COC[C@H]1OC(=O)OCCl
InChIInChI=1S/C8H10Cl2O7/c9-3-14-7(11)16-5-1-13-2-6(5)17-8(12)15-4-10/h5-6H,1-4H2/t5-,6+
InChIKeyFNMDUDPAHDLCJX-OLQVQODUSA-N
MW289.07 g/mol
LogP1.45
Rot. Bonds4

About [(3R,4S)-4-(chloromethoxycarbonyloxy)oxolan-3-yl] chloromethyl carbonate

[(3R,4S)-4-(chloromethoxycarbonyloxy)oxolan-3-yl] chloromethyl carbonate (PubChem CID 102394469) has the molecular formula C8H10Cl2O7 and a molecular weight of 289.07 g/mol. Its IUPAC name is [(3R,4S)-4-(chloromethoxycarbonyloxy)oxolan-3-yl] chloromethyl carbonate.

Molecular Properties

Compound Name[(3R,4S)-4-(chloromethoxycarbonyloxy)oxolan-3-yl] chloromethyl carbonate
PubChem CID102394469
Molecular FormulaC8H10Cl2O7
Molecular Weight289.07 g/mol
Exact Mass287.98
IUPAC Name[(3R,4S)-4-(chloromethoxycarbonyloxy)oxolan-3-yl] chloromethyl carbonate
SMILESO=C(OCCl)O[C@H]1COC[C@H]1OC(=O)OCCl
InChIInChI=1S/C8H10Cl2O7/c9-3-14-7(11)16-5-1-13-2-6(5)17-8(12)15-4-10/h5-6H,1-4H2/t5-,6+
InChIKeyFNMDUDPAHDLCJX-OLQVQODUSA-N
XLogP1.45
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.07
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

chloromethyl oxiran-2-yl carbonate
CID 174658278
chloromethyl 1-(oxetan-3-yl)ethyl carbonate
CID 121380540
[4-(cyanomethoxy)oxolan-3-yl] carbamate
CID 142907023
(4-aminooxolan-3-yl) carbamate
CID 90426775
chloromethyl (3-methylcyclopentyl) carbonate
CID 66562167
4-O-tert-butyl 1-O-[(1S,2R)-2-(chloromethoxycarbonyloxy)cyclopentyl] butanedioate
CID 146293404
(4-hydroxyoxolan-3-yl) 2-aminoacetate
CID 131172210
(4-benzoyloxyoxolan-3-yl) benzoate
CID 123149129
chloromethyl [(1R)-2,3-dihydro-1H-inden-1-yl] carbonate
CID 121218784
(4-docosanoyloxyoxolan-3-yl) docosanoate
CID 22892352
[4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-3-yl] 2-methylprop-2-enoate
CID 59414810
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl carbamate
CID 175218198

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-(chloromethoxycarbonyloxy)oxolan-3-yl] chloromethyl carbonate?
The IUPAC name of [(3R,4S)-4-(chloromethoxycarbonyloxy)oxolan-3-yl] chloromethyl carbonate (CID 102394469) is [(3R,4S)-4-(chloromethoxycarbonyloxy)oxolan-3-yl] chloromethyl carbonate.
What is the SMILES notation for [(3R,4S)-4-(chloromethoxycarbonyloxy)oxolan-3-yl] chloromethyl carbonate?
The canonical SMILES for [(3R,4S)-4-(chloromethoxycarbonyloxy)oxolan-3-yl] chloromethyl carbonate is O=C(OCCl)O[C@H]1COC[C@H]1OC(=O)OCCl.
What is the InChIKey of [(3R,4S)-4-(chloromethoxycarbonyloxy)oxolan-3-yl] chloromethyl carbonate?
The InChIKey is FNMDUDPAHDLCJX-OLQVQODUSA-N. The full InChI is InChI=1S/C8H10Cl2O7/c9-3-14-7(11)16-5-1-13-2-6(5)17-8(12)15-4-10/h5-6H,1-4H2/t5-,6+.
What are the key properties of [(3R,4S)-4-(chloromethoxycarbonyloxy)oxolan-3-yl] chloromethyl carbonate?
[(3R,4S)-4-(chloromethoxycarbonyloxy)oxolan-3-yl] chloromethyl carbonate has a molecular weight of 289.07 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-(chloromethoxycarbonyloxy)oxolan-3-yl] chloromethyl carbonate is sourced from PubChem (CID 102394469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).