methyl 3-methyl-4-methylidenecyclopentane-1-carboxylate

C9H14O2 — CID 565537

IUPACmethyl 3-methyl-4-methylidenecyclopentane-1-carboxylate
SMILESC=C1CC(C(=O)OC)CC1C
InChIInChI=1S/C9H14O2/c1-6-4-8(5-7(6)2)9(10)11-3/h7-8H,1,4-5H2,2-3H3
InChIKeyOAAGWJYQDHQGTO-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.76
Rot. Bonds1

About methyl 3-methyl-4-methylidenecyclopentane-1-carboxylate

methyl 3-methyl-4-methylidenecyclopentane-1-carboxylate (PubChem CID 565537) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is methyl 3-methyl-4-methylidenecyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-4-methylidenecyclopentane-1-carboxylate
PubChem CID565537
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Namemethyl 3-methyl-4-methylidenecyclopentane-1-carboxylate
SMILESC=C1CC(C(=O)OC)CC1C
InChIInChI=1S/C9H14O2/c1-6-4-8(5-7(6)2)9(10)11-3/h7-8H,1,4-5H2,2-3H3
InChIKeyOAAGWJYQDHQGTO-UHFFFAOYSA-N
XLogP1.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 557110
CID 557110
CID 565539
CID 565539
CID 11009242
CID 11009242
CID 134916431
CID 134916431
CID 11116269
CID 11116269
CID 121340241
CID 121340241
CID 126764041
CID 126764041
CID 12537217
CID 12537217
CID 12537218
CID 12537218
CID 12676515
CID 12676515
CID 13947412
CID 13947412
CID 14571346
CID 14571346

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-4-methylidenecyclopentane-1-carboxylate?
The IUPAC name of methyl 3-methyl-4-methylidenecyclopentane-1-carboxylate (CID 565537) is methyl 3-methyl-4-methylidenecyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-methyl-4-methylidenecyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-methyl-4-methylidenecyclopentane-1-carboxylate is C=C1CC(C(=O)OC)CC1C.
What is the InChIKey of methyl 3-methyl-4-methylidenecyclopentane-1-carboxylate?
The InChIKey is OAAGWJYQDHQGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6-4-8(5-7(6)2)9(10)11-3/h7-8H,1,4-5H2,2-3H3.
What are the key properties of methyl 3-methyl-4-methylidenecyclopentane-1-carboxylate?
methyl 3-methyl-4-methylidenecyclopentane-1-carboxylate has a molecular weight of 154.21 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-4-methylidenecyclopentane-1-carboxylate is sourced from PubChem (CID 565537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).