methyl 2,4-dimethoxycyclopentane-1-carboxylate

C9H16O4 — CID 23553379

IUPACmethyl 2,4-dimethoxycyclopentane-1-carboxylate
SMILESCOC(=O)C1CC(OC)CC1OC
InChIInChI=1S/C9H16O4/c1-11-6-4-7(9(10)13-3)8(5-6)12-2/h6-8H,4-5H2,1-3H3
InChIKeyGOTCUSYCXSLAHT-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.60
Rot. Bonds3

About methyl 2,4-dimethoxycyclopentane-1-carboxylate

methyl 2,4-dimethoxycyclopentane-1-carboxylate (PubChem CID 23553379) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is methyl 2,4-dimethoxycyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-dimethoxycyclopentane-1-carboxylate
PubChem CID23553379
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Namemethyl 2,4-dimethoxycyclopentane-1-carboxylate
SMILESCOC(=O)C1CC(OC)CC1OC
InChIInChI=1S/C9H16O4/c1-11-6-4-7(9(10)13-3)8(5-6)12-2/h6-8H,4-5H2,1-3H3
InChIKeyGOTCUSYCXSLAHT-UHFFFAOYSA-N
XLogP0.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-methoxy-2-oxocyclopentane-1-carboxylate
CID 14231087
Methyl 2,2-dimethoxy-4-(methylperoxymethyl)cyclopentane-1-carboxylate
CID 18738798
Methyl 3,5-dimethoxy-2-methylhexanoate
CID 21337454
Methyl 6-oxabicyclo[3.1.0]hexane-2-carboxylate
CID 21519581
Dimethyl 4,4-dimethoxycyclopentane-1,3-dicarboxylate
CID 22467065
Ethyl 3-ethoxy-2-oxocyclopentane-1-carboxylate
CID 45093888
(3-Formyl-4-hexanoyloxycyclopentyl) hexanoate
CID 54073259
Methyl 3-formyloxycyclopentane-1-carboxylate
CID 57125672
[(1R,2S,3R,4S)-2-formyl-4-methoxy-3-(methoxymethyl)cyclopentyl] formate
CID 58400402
ethyl 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]dioxine-5-carboxylate
CID 67064895
Tert-butyl 3-propan-2-yloxycyclopentane-1-carboxylate
CID 68267306
Tert-butyl 3-methoxycyclopentane-1-carboxylate
CID 68307343

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethoxycyclopentane-1-carboxylate?
The IUPAC name of methyl 2,4-dimethoxycyclopentane-1-carboxylate (CID 23553379) is methyl 2,4-dimethoxycyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2,4-dimethoxycyclopentane-1-carboxylate?
The canonical SMILES for methyl 2,4-dimethoxycyclopentane-1-carboxylate is COC(=O)C1CC(OC)CC1OC.
What is the InChIKey of methyl 2,4-dimethoxycyclopentane-1-carboxylate?
The InChIKey is GOTCUSYCXSLAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-11-6-4-7(9(10)13-3)8(5-6)12-2/h6-8H,4-5H2,1-3H3.
What are the key properties of methyl 2,4-dimethoxycyclopentane-1-carboxylate?
methyl 2,4-dimethoxycyclopentane-1-carboxylate has a molecular weight of 188.22 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethoxycyclopentane-1-carboxylate is sourced from PubChem (CID 23553379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).