methyl 2-[2,2-dimethyl-3-(3-oxopropyl)cyclopropyl]acetate

C11H18O3 — CID 88797661

IUPACmethyl 2-[2,2-dimethyl-3-(3-oxopropyl)cyclopropyl]acetate
SMILESCOC(=O)CC1C(CCC=O)C1(C)C
InChIInChI=1S/C11H18O3/c1-11(2)8(5-4-6-12)9(11)7-10(13)14-3/h6,8-9H,4-5,7H2,1-3H3
InChIKeySVNZNHZRPSGOCR-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.80
Rot. Bonds5

About methyl 2-[2,2-dimethyl-3-(3-oxopropyl)cyclopropyl]acetate

methyl 2-[2,2-dimethyl-3-(3-oxopropyl)cyclopropyl]acetate (PubChem CID 88797661) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is methyl 2-[2,2-dimethyl-3-(3-oxopropyl)cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2,2-dimethyl-3-(3-oxopropyl)cyclopropyl]acetate
PubChem CID88797661
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namemethyl 2-[2,2-dimethyl-3-(3-oxopropyl)cyclopropyl]acetate
SMILESCOC(=O)CC1C(CCC=O)C1(C)C
InChIInChI=1S/C11H18O3/c1-11(2)8(5-4-6-12)9(11)7-10(13)14-3/h6,8-9H,4-5,7H2,1-3H3
InChIKeySVNZNHZRPSGOCR-UHFFFAOYSA-N
XLogP1.80
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2,2-dimethyl-3-(3-oxopropyl)cyclopropyl]acetate?
The IUPAC name of methyl 2-[2,2-dimethyl-3-(3-oxopropyl)cyclopropyl]acetate (CID 88797661) is methyl 2-[2,2-dimethyl-3-(3-oxopropyl)cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[2,2-dimethyl-3-(3-oxopropyl)cyclopropyl]acetate?
The canonical SMILES for methyl 2-[2,2-dimethyl-3-(3-oxopropyl)cyclopropyl]acetate is COC(=O)CC1C(CCC=O)C1(C)C.
What is the InChIKey of methyl 2-[2,2-dimethyl-3-(3-oxopropyl)cyclopropyl]acetate?
The InChIKey is SVNZNHZRPSGOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-11(2)8(5-4-6-12)9(11)7-10(13)14-3/h6,8-9H,4-5,7H2,1-3H3.
What are the key properties of methyl 2-[2,2-dimethyl-3-(3-oxopropyl)cyclopropyl]acetate?
methyl 2-[2,2-dimethyl-3-(3-oxopropyl)cyclopropyl]acetate has a molecular weight of 198.26 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,2-dimethyl-3-(3-oxopropyl)cyclopropyl]acetate is sourced from PubChem (CID 88797661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).