methyl 2-(methoxymethyl)-3-methylidenecyclopentane-1-carboxylate

C10H16O3 — CID 542462

IUPACmethyl 2-(methoxymethyl)-3-methylidenecyclopentane-1-carboxylate
SMILESC=C1CCC(C(=O)OC)C1COC
InChIInChI=1S/C10H16O3/c1-7-4-5-8(10(11)13-3)9(7)6-12-2/h8-9H,1,4-6H2,2-3H3
InChIKeyBMCZQTMJYFLIIV-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.39
Rot. Bonds3

About methyl 2-(methoxymethyl)-3-methylidenecyclopentane-1-carboxylate

methyl 2-(methoxymethyl)-3-methylidenecyclopentane-1-carboxylate (PubChem CID 542462) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl 2-(methoxymethyl)-3-methylidenecyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(methoxymethyl)-3-methylidenecyclopentane-1-carboxylate
PubChem CID542462
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl 2-(methoxymethyl)-3-methylidenecyclopentane-1-carboxylate
SMILESC=C1CCC(C(=O)OC)C1COC
InChIInChI=1S/C10H16O3/c1-7-4-5-8(10(11)13-3)9(7)6-12-2/h8-9H,1,4-6H2,2-3H3
InChIKeyBMCZQTMJYFLIIV-UHFFFAOYSA-N
XLogP1.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.39
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 2-methyl-4-methylenecyclopentanecarboxylate
CID 565539
methyl 2-[(1R)-1,2-dimethyl-3-methylidenecyclopentyl]acetate
CID 162420347
methyl 2-[(1S)-1,2-dimethyl-3-methylidenecyclopentyl]acetate
CID 162420348
Methyl 2-(2-methylidenecyclopentyl)acetate
CID 11116269
Ethyl (2R)-2-methyl-5-(propan-2-ylidene)cyclopentane-1-carboxylate
CID 11830361
trans-methyl (1S,2S)-2-methyl-4-methylidenecyclopentane-1-carboxylate
CID 121340241
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
3-Oxabicyclo[3.3.0]octan-2-one, 6-methylene
CID 556708
3-Oxabicyclo[3.3.0]octan-2-one, 7-methylene-
CID 564525
Diethyl 4-ethylidene-cyclopentane-1,2-dicarboxylate
CID 564797

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methoxymethyl)-3-methylidenecyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(methoxymethyl)-3-methylidenecyclopentane-1-carboxylate (CID 542462) is methyl 2-(methoxymethyl)-3-methylidenecyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(methoxymethyl)-3-methylidenecyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(methoxymethyl)-3-methylidenecyclopentane-1-carboxylate is C=C1CCC(C(=O)OC)C1COC.
What is the InChIKey of methyl 2-(methoxymethyl)-3-methylidenecyclopentane-1-carboxylate?
The InChIKey is BMCZQTMJYFLIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-7-4-5-8(10(11)13-3)9(7)6-12-2/h8-9H,1,4-6H2,2-3H3.
What are the key properties of methyl 2-(methoxymethyl)-3-methylidenecyclopentane-1-carboxylate?
methyl 2-(methoxymethyl)-3-methylidenecyclopentane-1-carboxylate has a molecular weight of 184.23 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methoxymethyl)-3-methylidenecyclopentane-1-carboxylate is sourced from PubChem (CID 542462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).