methyl 2-methyl-3-methylidene-4-pentylcyclopentane-1-carboxylate

C14H24O2 — CID 565527

IUPACmethyl 2-methyl-3-methylidene-4-pentylcyclopentane-1-carboxylate
SMILESC=C1C(CCCCC)CC(C(=O)OC)C1C
InChIInChI=1S/C14H24O2/c1-5-6-7-8-12-9-13(14(15)16-4)11(3)10(12)2/h11-13H,2,5-9H2,1,3-4H3
InChIKeySSVOQKUUFLYRDR-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.57
Rot. Bonds5

About methyl 2-methyl-3-methylidene-4-pentylcyclopentane-1-carboxylate

methyl 2-methyl-3-methylidene-4-pentylcyclopentane-1-carboxylate (PubChem CID 565527) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is methyl 2-methyl-3-methylidene-4-pentylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-3-methylidene-4-pentylcyclopentane-1-carboxylate
PubChem CID565527
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Namemethyl 2-methyl-3-methylidene-4-pentylcyclopentane-1-carboxylate
SMILESC=C1C(CCCCC)CC(C(=O)OC)C1C
InChIInChI=1S/C14H24O2/c1-5-6-7-8-12-9-13(14(15)16-4)11(3)10(12)2/h11-13H,2,5-9H2,1,3-4H3
InChIKeySSVOQKUUFLYRDR-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-methylidene-4-pentylcyclopentane-1-carboxylate?
The IUPAC name of methyl 2-methyl-3-methylidene-4-pentylcyclopentane-1-carboxylate (CID 565527) is methyl 2-methyl-3-methylidene-4-pentylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-3-methylidene-4-pentylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-methyl-3-methylidene-4-pentylcyclopentane-1-carboxylate is C=C1C(CCCCC)CC(C(=O)OC)C1C.
What is the InChIKey of methyl 2-methyl-3-methylidene-4-pentylcyclopentane-1-carboxylate?
The InChIKey is SSVOQKUUFLYRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-5-6-7-8-12-9-13(14(15)16-4)11(3)10(12)2/h11-13H,2,5-9H2,1,3-4H3.
What are the key properties of methyl 2-methyl-3-methylidene-4-pentylcyclopentane-1-carboxylate?
methyl 2-methyl-3-methylidene-4-pentylcyclopentane-1-carboxylate has a molecular weight of 224.34 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-methylidene-4-pentylcyclopentane-1-carboxylate is sourced from PubChem (CID 565527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).