(4-carbonochloridoyloxycyclohexyl) carbonochloridate

C8H10Cl2O4 — CID 19931074

IUPAC(4-carbonochloridoyloxycyclohexyl) carbonochloridate
SMILESO=C(Cl)OC1CCC(OC(=O)Cl)CC1
InChIInChI=1S/C8H10Cl2O4/c9-7(11)13-5-1-2-6(4-3-5)14-8(10)12/h5-6H,1-4H2
InChIKeyOFJZWANZFNKCOL-UHFFFAOYSA-N
MW241.07 g/mol
LogP3.05
Rot. Bonds2

About (4-carbonochloridoyloxycyclohexyl) carbonochloridate

(4-carbonochloridoyloxycyclohexyl) carbonochloridate (PubChem CID 19931074) has the molecular formula C8H10Cl2O4 and a molecular weight of 241.07 g/mol. Its IUPAC name is (4-carbonochloridoyloxycyclohexyl) carbonochloridate.

Molecular Properties

Compound Name(4-carbonochloridoyloxycyclohexyl) carbonochloridate
PubChem CID19931074
Molecular FormulaC8H10Cl2O4
Molecular Weight241.07 g/mol
Exact Mass240.00
IUPAC Name(4-carbonochloridoyloxycyclohexyl) carbonochloridate
SMILESO=C(Cl)OC1CCC(OC(=O)Cl)CC1
InChIInChI=1S/C8H10Cl2O4/c9-7(11)13-5-1-2-6(4-3-5)14-8(10)12/h5-6H,1-4H2
InChIKeyOFJZWANZFNKCOL-UHFFFAOYSA-N
XLogP3.05
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.07
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (4-carbonochloridoyloxycyclohexyl) carbonochloridate?
The IUPAC name of (4-carbonochloridoyloxycyclohexyl) carbonochloridate (CID 19931074) is (4-carbonochloridoyloxycyclohexyl) carbonochloridate.
What is the SMILES notation for (4-carbonochloridoyloxycyclohexyl) carbonochloridate?
The canonical SMILES for (4-carbonochloridoyloxycyclohexyl) carbonochloridate is O=C(Cl)OC1CCC(OC(=O)Cl)CC1.
What is the InChIKey of (4-carbonochloridoyloxycyclohexyl) carbonochloridate?
The InChIKey is OFJZWANZFNKCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2O4/c9-7(11)13-5-1-2-6(4-3-5)14-8(10)12/h5-6H,1-4H2.
What are the key properties of (4-carbonochloridoyloxycyclohexyl) carbonochloridate?
(4-carbonochloridoyloxycyclohexyl) carbonochloridate has a molecular weight of 241.07 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbonochloridoyloxycyclohexyl) carbonochloridate is sourced from PubChem (CID 19931074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).