methyl 3,3-dimethoxy-1-methylcyclopentane-1-carboxylate

C10H18O4 — CID 59888743

IUPACmethyl 3,3-dimethoxy-1-methylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(C)CCC(OC)(OC)C1
InChIInChI=1S/C10H18O4/c1-9(8(11)12-2)5-6-10(7-9,13-3)14-4/h5-7H2,1-4H3
InChIKeyBBXJSOZATKVBRS-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.34
Rot. Bonds3

About methyl 3,3-dimethoxy-1-methylcyclopentane-1-carboxylate

methyl 3,3-dimethoxy-1-methylcyclopentane-1-carboxylate (PubChem CID 59888743) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 3,3-dimethoxy-1-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3,3-dimethoxy-1-methylcyclopentane-1-carboxylate
PubChem CID59888743
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namemethyl 3,3-dimethoxy-1-methylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(C)CCC(OC)(OC)C1
InChIInChI=1S/C10H18O4/c1-9(8(11)12-2)5-6-10(7-9,13-3)14-4/h5-7H2,1-4H3
InChIKeyBBXJSOZATKVBRS-UHFFFAOYSA-N
XLogP1.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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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Related Compounds

Methyl 3,3-dimethoxy-1-(2-oxoethyl)cyclopentane-1-carboxylate
CID 134841247
Methyl 3,3-dimethoxycyclopentanecarboxylate
CID 12347356
Methyl 3,3-dimethoxy-1-(methylsulfanylmethyl)cyclopentane-1-carboxylate
CID 18614400
Methyl 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
CID 22906262
Methyl 1-isopropyl-3,3-dimethoxycyclopentane-1-carboxylate
CID 23533666
Methyl 3,3-dimethoxy-4-methylcyclopentane-1-carboxylate
CID 23533670
Methyl 2-(3,3-dimethoxycyclopentyl)acetate
CID 53419513
Tert-butyl 3,3-dimethoxycyclopentanecarboxylate
CID 58784445
(3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
CID 58894625
8,8-Dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
CID 58894627
Tert-butyl 1-isopropyl-3,3-dimethoxycyclopentanecarboxylate
CID 58987981
3,8,8-Trimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid
CID 59540758

Frequently Asked Questions

What is the IUPAC name of methyl 3,3-dimethoxy-1-methylcyclopentane-1-carboxylate?
The IUPAC name of methyl 3,3-dimethoxy-1-methylcyclopentane-1-carboxylate (CID 59888743) is methyl 3,3-dimethoxy-1-methylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3,3-dimethoxy-1-methylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 3,3-dimethoxy-1-methylcyclopentane-1-carboxylate is COC(=O)C1(C)CCC(OC)(OC)C1.
What is the InChIKey of methyl 3,3-dimethoxy-1-methylcyclopentane-1-carboxylate?
The InChIKey is BBXJSOZATKVBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-9(8(11)12-2)5-6-10(7-9,13-3)14-4/h5-7H2,1-4H3.
What are the key properties of methyl 3,3-dimethoxy-1-methylcyclopentane-1-carboxylate?
methyl 3,3-dimethoxy-1-methylcyclopentane-1-carboxylate has a molecular weight of 202.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3-dimethoxy-1-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 59888743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).