(6-carbonochloridoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) carbonochloridate

C8H8Cl2O6 — CID 12894109

IUPAC(6-carbonochloridoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) carbonochloridate
SMILESO=C(Cl)OC1COC2C(OC(=O)Cl)COC12
InChIInChI=1S/C8H8Cl2O6/c9-7(11)15-3-1-13-6-4(16-8(10)12)2-14-5(3)6/h3-6H,1-2H2
InChIKeyWXQRCZYCGISTAS-UHFFFAOYSA-N
MW271.05 g/mol
LogP1.27
Rot. Bonds2

About (6-carbonochloridoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) carbonochloridate

(6-carbonochloridoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) carbonochloridate (PubChem CID 12894109) has the molecular formula C8H8Cl2O6 and a molecular weight of 271.05 g/mol. Its IUPAC name is (6-carbonochloridoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) carbonochloridate.

Molecular Properties

Compound Name(6-carbonochloridoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) carbonochloridate
PubChem CID12894109
Molecular FormulaC8H8Cl2O6
Molecular Weight271.05 g/mol
Exact Mass269.97
IUPAC Name(6-carbonochloridoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) carbonochloridate
SMILESO=C(Cl)OC1COC2C(OC(=O)Cl)COC12
InChIInChI=1S/C8H8Cl2O6/c9-7(11)15-3-1-13-6-4(16-8(10)12)2-14-5(3)6/h3-6H,1-2H2
InChIKeyWXQRCZYCGISTAS-UHFFFAOYSA-N
XLogP1.27
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.05
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-carbonochloridoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) carbonochloridate?
The IUPAC name of (6-carbonochloridoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) carbonochloridate (CID 12894109) is (6-carbonochloridoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) carbonochloridate.
What is the SMILES notation for (6-carbonochloridoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) carbonochloridate?
The canonical SMILES for (6-carbonochloridoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) carbonochloridate is O=C(Cl)OC1COC2C(OC(=O)Cl)COC12.
What is the InChIKey of (6-carbonochloridoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) carbonochloridate?
The InChIKey is WXQRCZYCGISTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O6/c9-7(11)15-3-1-13-6-4(16-8(10)12)2-14-5(3)6/h3-6H,1-2H2.
What are the key properties of (6-carbonochloridoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) carbonochloridate?
(6-carbonochloridoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) carbonochloridate has a molecular weight of 271.05 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-carbonochloridoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) carbonochloridate is sourced from PubChem (CID 12894109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).