methyl 3,3-dimethoxy-4-methylcyclopentane-1-carboxylate

C10H18O4 — CID 23533670

IUPACmethyl 3,3-dimethoxy-4-methylcyclopentane-1-carboxylate
SMILESCOC(=O)C1CC(C)C(OC)(OC)C1
InChIInChI=1S/C10H18O4/c1-7-5-8(9(11)12-2)6-10(7,13-3)14-4/h7-8H,5-6H2,1-4H3
InChIKeyFQYMQPVHEQSWJJ-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.19
Rot. Bonds3

About methyl 3,3-dimethoxy-4-methylcyclopentane-1-carboxylate

methyl 3,3-dimethoxy-4-methylcyclopentane-1-carboxylate (PubChem CID 23533670) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 3,3-dimethoxy-4-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3,3-dimethoxy-4-methylcyclopentane-1-carboxylate
PubChem CID23533670
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namemethyl 3,3-dimethoxy-4-methylcyclopentane-1-carboxylate
SMILESCOC(=O)C1CC(C)C(OC)(OC)C1
InChIInChI=1S/C10H18O4/c1-7-5-8(9(11)12-2)6-10(7,13-3)14-4/h7-8H,5-6H2,1-4H3
InChIKeyFQYMQPVHEQSWJJ-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
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

trans-methoxymethyl (3R,4R)-3-(dimethoxymethyl)-4-(methoxymethoxy)cyclopentane-1-carboxylate
CID 13321597
Methyl 3,3-dimethoxycyclopentanecarboxylate
CID 12347356
Methoxymethyl 3-(dimethoxymethyl)-4-(methoxymethoxy)cyclopentane-1-carboxylate
CID 13321596
Methyl 2,2-dimethoxy-4-(methylperoxymethyl)cyclopentane-1-carboxylate
CID 18738798
Dimethyl 4,4-dimethoxycyclopentane-1,3-dicarboxylate
CID 22467065
Methyl 1-isopropyl-3,3-dimethoxycyclopentane-1-carboxylate
CID 23533666
Methyl 2-(3,3-dimethoxycyclopentyl)acetate
CID 53419513
Tert-butyl 3,3-dimethoxycyclopentanecarboxylate
CID 58784445
Tert-butyl 1-isopropyl-3,3-dimethoxycyclopentanecarboxylate
CID 58987981
Tert-butyl 3,3-dimethoxy-1-methylcyclopentane-1-carboxylate
CID 59888741
Methyl 3,3-dimethoxy-1-methylcyclopentane-1-carboxylate
CID 59888743
methyl (1S)-3,3-dimethoxy-1-propan-2-ylcyclopentane-1-carboxylate
CID 60122292

Frequently Asked Questions

What is the IUPAC name of methyl 3,3-dimethoxy-4-methylcyclopentane-1-carboxylate?
The IUPAC name of methyl 3,3-dimethoxy-4-methylcyclopentane-1-carboxylate (CID 23533670) is methyl 3,3-dimethoxy-4-methylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3,3-dimethoxy-4-methylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 3,3-dimethoxy-4-methylcyclopentane-1-carboxylate is COC(=O)C1CC(C)C(OC)(OC)C1.
What is the InChIKey of methyl 3,3-dimethoxy-4-methylcyclopentane-1-carboxylate?
The InChIKey is FQYMQPVHEQSWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-7-5-8(9(11)12-2)6-10(7,13-3)14-4/h7-8H,5-6H2,1-4H3.
What are the key properties of methyl 3,3-dimethoxy-4-methylcyclopentane-1-carboxylate?
methyl 3,3-dimethoxy-4-methylcyclopentane-1-carboxylate has a molecular weight of 202.25 g/mol, XLogP of 1.19, 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-4-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 23533670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).