methyl 2-(3,3-dimethoxycyclopentyl)acetate

C10H18O4 — CID 53419513

IUPACmethyl 2-(3,3-dimethoxycyclopentyl)acetate
SMILESCOC(=O)CC1CCC(OC)(OC)C1
InChIInChI=1S/C10H18O4/c1-12-9(11)6-8-4-5-10(7-8,13-2)14-3/h8H,4-7H2,1-3H3
InChIKeyARTVEUVLUHSEKK-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.34
Rot. Bonds4

About methyl 2-(3,3-dimethoxycyclopentyl)acetate

methyl 2-(3,3-dimethoxycyclopentyl)acetate (PubChem CID 53419513) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 2-(3,3-dimethoxycyclopentyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3,3-dimethoxycyclopentyl)acetate
PubChem CID53419513
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namemethyl 2-(3,3-dimethoxycyclopentyl)acetate
SMILESCOC(=O)CC1CCC(OC)(OC)C1
InChIInChI=1S/C10H18O4/c1-12-9(11)6-8-4-5-10(7-8,13-2)14-3/h8H,4-7H2,1-3H3
InChIKeyARTVEUVLUHSEKK-UHFFFAOYSA-N
XLogP1.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,3-dimethoxycyclopentyl)acetate?
The IUPAC name of methyl 2-(3,3-dimethoxycyclopentyl)acetate (CID 53419513) is methyl 2-(3,3-dimethoxycyclopentyl)acetate.
What is the SMILES notation for methyl 2-(3,3-dimethoxycyclopentyl)acetate?
The canonical SMILES for methyl 2-(3,3-dimethoxycyclopentyl)acetate is COC(=O)CC1CCC(OC)(OC)C1.
What is the InChIKey of methyl 2-(3,3-dimethoxycyclopentyl)acetate?
The InChIKey is ARTVEUVLUHSEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-12-9(11)6-8-4-5-10(7-8,13-2)14-3/h8H,4-7H2,1-3H3.
What are the key properties of methyl 2-(3,3-dimethoxycyclopentyl)acetate?
methyl 2-(3,3-dimethoxycyclopentyl)acetate has a molecular weight of 202.25 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,3-dimethoxycyclopentyl)acetate is sourced from PubChem (CID 53419513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).