methyl 2-cyclopropyl-2-(3-methylbut-3-enoxy)acetate

C11H18O3 — CID 114469930

IUPACmethyl 2-cyclopropyl-2-(3-methylbut-3-enoxy)acetate
SMILESC=C(C)CCOC(C(=O)OC)C1CC1
InChIInChI=1S/C11H18O3/c1-8(2)6-7-14-10(9-4-5-9)11(12)13-3/h9-10H,1,4-7H2,2-3H3
InChIKeySJXNCVHPFXCRAY-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.92
Rot. Bonds6

About methyl 2-cyclopropyl-2-(3-methylbut-3-enoxy)acetate

methyl 2-cyclopropyl-2-(3-methylbut-3-enoxy)acetate (PubChem CID 114469930) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(3-methylbut-3-enoxy)acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(3-methylbut-3-enoxy)acetate
PubChem CID114469930
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namemethyl 2-cyclopropyl-2-(3-methylbut-3-enoxy)acetate
SMILESC=C(C)CCOC(C(=O)OC)C1CC1
InChIInChI=1S/C11H18O3/c1-8(2)6-7-14-10(9-4-5-9)11(12)13-3/h9-10H,1,4-7H2,2-3H3
InChIKeySJXNCVHPFXCRAY-UHFFFAOYSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-(3-methylbut-3-enoxy)propanoate
CID 103338255
methyl 2-cyclopropyl-2-[2-(3-methoxypropoxy)ethoxy]acetate
CID 103176640
methyl 2-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyacetate
CID 114340336
1-O-methyl 2-O-(3-methylbut-3-enyl) oxalate
CID 155640793
methyl (2S)-2-acetyloxy-2-cyclohexylacetate
CID 101044598
2-cyclopropyl-2-(3-methylbut-3-enylamino)acetic acid
CID 114473160
methyl 2-cyclopropyl-2-(cyclopropylamino)acetate
CID 61310174
methyl 2-(4-butylphenoxy)-2-cyclopropylacetate
CID 113322628
methyl 2-chloro-2-cyclopropylacetate
CID 15659586
N-(dicyclopropylmethyl)-3-methylbut-3-en-1-amine
CID 114449137
methyl 2-acetamido-2-cyclopropylacetate
CID 121215489
3-(3-methylbut-3-enoxy)-3-oxopropanoic acid
CID 89074046

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(3-methylbut-3-enoxy)acetate?
The IUPAC name of methyl 2-cyclopropyl-2-(3-methylbut-3-enoxy)acetate (CID 114469930) is methyl 2-cyclopropyl-2-(3-methylbut-3-enoxy)acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(3-methylbut-3-enoxy)acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-(3-methylbut-3-enoxy)acetate is C=C(C)CCOC(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(3-methylbut-3-enoxy)acetate?
The InChIKey is SJXNCVHPFXCRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-8(2)6-7-14-10(9-4-5-9)11(12)13-3/h9-10H,1,4-7H2,2-3H3.
What are the key properties of methyl 2-cyclopropyl-2-(3-methylbut-3-enoxy)acetate?
methyl 2-cyclopropyl-2-(3-methylbut-3-enoxy)acetate has a molecular weight of 198.26 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(3-methylbut-3-enoxy)acetate is sourced from PubChem (CID 114469930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).