(1,2-dimethylcyclopropyl) carbonochloridate

C6H9ClO2 — CID 57006393

IUPAC(1,2-dimethylcyclopropyl) carbonochloridate
SMILESCC1CC1(C)OC(=O)Cl
InChIInChI=1S/C6H9ClO2/c1-4-3-6(4,2)9-5(7)8/h4H,3H2,1-2H3
InChIKeyWAZKSTUYBWGUAG-UHFFFAOYSA-N
MW148.59 g/mol
LogP2.16
Rot. Bonds1

About (1,2-dimethylcyclopropyl) carbonochloridate

(1,2-dimethylcyclopropyl) carbonochloridate (PubChem CID 57006393) has the molecular formula C6H9ClO2 and a molecular weight of 148.59 g/mol. Its IUPAC name is (1,2-dimethylcyclopropyl) carbonochloridate.

Molecular Properties

Compound Name(1,2-dimethylcyclopropyl) carbonochloridate
PubChem CID57006393
Molecular FormulaC6H9ClO2
Molecular Weight148.59 g/mol
Exact Mass148.03
IUPAC Name(1,2-dimethylcyclopropyl) carbonochloridate
SMILESCC1CC1(C)OC(=O)Cl
InChIInChI=1S/C6H9ClO2/c1-4-3-6(4,2)9-5(7)8/h4H,3H2,1-2H3
InChIKeyWAZKSTUYBWGUAG-UHFFFAOYSA-N
XLogP2.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (1,2-dimethylcyclopropyl) carbonochloridate?
The IUPAC name of (1,2-dimethylcyclopropyl) carbonochloridate (CID 57006393) is (1,2-dimethylcyclopropyl) carbonochloridate.
What is the SMILES notation for (1,2-dimethylcyclopropyl) carbonochloridate?
The canonical SMILES for (1,2-dimethylcyclopropyl) carbonochloridate is CC1CC1(C)OC(=O)Cl.
What is the InChIKey of (1,2-dimethylcyclopropyl) carbonochloridate?
The InChIKey is WAZKSTUYBWGUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO2/c1-4-3-6(4,2)9-5(7)8/h4H,3H2,1-2H3.
What are the key properties of (1,2-dimethylcyclopropyl) carbonochloridate?
(1,2-dimethylcyclopropyl) carbonochloridate has a molecular weight of 148.59 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylcyclopropyl) carbonochloridate is sourced from PubChem (CID 57006393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).