(1-propylcyclopropyl) carbonochloridate

C7H11ClO2 — CID 88806971

IUPAC(1-propylcyclopropyl) carbonochloridate
SMILESCCCC1(OC(=O)Cl)CC1
InChIInChI=1S/C7H11ClO2/c1-2-3-7(4-5-7)10-6(8)9/h2-5H2,1H3
InChIKeyJPTFWCDQJWRCAR-UHFFFAOYSA-N
MW162.62 g/mol
LogP2.69
Rot. Bonds3

About (1-propylcyclopropyl) carbonochloridate

(1-propylcyclopropyl) carbonochloridate (PubChem CID 88806971) has the molecular formula C7H11ClO2 and a molecular weight of 162.62 g/mol. Its IUPAC name is (1-propylcyclopropyl) carbonochloridate.

Molecular Properties

Compound Name(1-propylcyclopropyl) carbonochloridate
PubChem CID88806971
Molecular FormulaC7H11ClO2
Molecular Weight162.62 g/mol
Exact Mass162.04
IUPAC Name(1-propylcyclopropyl) carbonochloridate
SMILESCCCC1(OC(=O)Cl)CC1
InChIInChI=1S/C7H11ClO2/c1-2-3-7(4-5-7)10-6(8)9/h2-5H2,1H3
InChIKeyJPTFWCDQJWRCAR-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 52.69
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-propylcyclopropyl) carbonochloridate?
The IUPAC name of (1-propylcyclopropyl) carbonochloridate (CID 88806971) is (1-propylcyclopropyl) carbonochloridate.
What is the SMILES notation for (1-propylcyclopropyl) carbonochloridate?
The canonical SMILES for (1-propylcyclopropyl) carbonochloridate is CCCC1(OC(=O)Cl)CC1.
What is the InChIKey of (1-propylcyclopropyl) carbonochloridate?
The InChIKey is JPTFWCDQJWRCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO2/c1-2-3-7(4-5-7)10-6(8)9/h2-5H2,1H3.
What are the key properties of (1-propylcyclopropyl) carbonochloridate?
(1-propylcyclopropyl) carbonochloridate has a molecular weight of 162.62 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylcyclopropyl) carbonochloridate is sourced from PubChem (CID 88806971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).