methyl 2-(methoxymethyl)-4-propan-2-ylidenecyclopentane-1-carboxylate

C12H20O3 — CID 577956

IUPACmethyl 2-(methoxymethyl)-4-propan-2-ylidenecyclopentane-1-carboxylate
SMILESCOCC1CC(=C(C)C)CC1C(=O)OC
InChIInChI=1S/C12H20O3/c1-8(2)9-5-10(7-14-3)11(6-9)12(13)15-4/h10-11H,5-7H2,1-4H3
InChIKeyGHHRRARLZIERMW-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.17
Rot. Bonds3

About methyl 2-(methoxymethyl)-4-propan-2-ylidenecyclopentane-1-carboxylate

methyl 2-(methoxymethyl)-4-propan-2-ylidenecyclopentane-1-carboxylate (PubChem CID 577956) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is methyl 2-(methoxymethyl)-4-propan-2-ylidenecyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(methoxymethyl)-4-propan-2-ylidenecyclopentane-1-carboxylate
PubChem CID577956
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Namemethyl 2-(methoxymethyl)-4-propan-2-ylidenecyclopentane-1-carboxylate
SMILESCOCC1CC(=C(C)C)CC1C(=O)OC
InChIInChI=1S/C12H20O3/c1-8(2)9-5-10(7-14-3)11(6-9)12(13)15-4/h10-11H,5-7H2,1-4H3
InChIKeyGHHRRARLZIERMW-UHFFFAOYSA-N
XLogP2.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.17
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

Ethyl (2R)-2-methyl-5-(propan-2-ylidene)cyclopentane-1-carboxylate
CID 11830361
diethyl (1R,2R)-4-methylidenecyclopentane-1,2-dicarboxylate
CID 929224
trans-ethyl (1R,2S)-4-(difluoromethylidene)-2-(ethoxymethyl)cyclopentane-1-carboxylate
CID 163602665
Diethyl 4-methylenecyclopentane-1,2-dicarboxylate
CID 556160
Diethyl 4-ethylidene-cyclopentane-1,2-dicarboxylate
CID 564797
Methyl 2-(2-propan-2-ylidenecyclopentyl)acetate
CID 12682233
4-(6-Methylhept-5-en-2-yl)oxolan-2-one
CID 139257463
Methyl pulegenate
CID 11830067
Cyclopentanecarboxylic acid, 3-methylene-2-methoxymethyl-, methyl ester
CID 542462
Cyclopentane-1R,2-trans-dicarboxylic acid, 4-isopropylidene-cis-3-trimethylsilyl-, diethyl ester
CID 552787
Cyclopentanecarboxylic acid, 4-methylene-2-methoxymethyl-, methyl ester, trans-
CID 564408
1,2-Cyclopentanedicarboxylic acid, 4-ethylidene-, dimethyl ester
CID 564786

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methoxymethyl)-4-propan-2-ylidenecyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(methoxymethyl)-4-propan-2-ylidenecyclopentane-1-carboxylate (CID 577956) is methyl 2-(methoxymethyl)-4-propan-2-ylidenecyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(methoxymethyl)-4-propan-2-ylidenecyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(methoxymethyl)-4-propan-2-ylidenecyclopentane-1-carboxylate is COCC1CC(=C(C)C)CC1C(=O)OC.
What is the InChIKey of methyl 2-(methoxymethyl)-4-propan-2-ylidenecyclopentane-1-carboxylate?
The InChIKey is GHHRRARLZIERMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-8(2)9-5-10(7-14-3)11(6-9)12(13)15-4/h10-11H,5-7H2,1-4H3.
What are the key properties of methyl 2-(methoxymethyl)-4-propan-2-ylidenecyclopentane-1-carboxylate?
methyl 2-(methoxymethyl)-4-propan-2-ylidenecyclopentane-1-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methoxymethyl)-4-propan-2-ylidenecyclopentane-1-carboxylate is sourced from PubChem (CID 577956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).