methyl 3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate

C11H20O3 — CID 58476988

IUPACmethyl 3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC(C)(OC)C1(C)C
InChIInChI=1S/C11H20O3/c1-10(2)8(9(12)13-4)6-7-11(10,3)14-5/h8H,6-7H2,1-5H3
InChIKeyMQHJOVKVBNTLFA-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.00
Rot. Bonds2

About methyl 3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate

methyl 3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate (PubChem CID 58476988) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate
PubChem CID58476988
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Namemethyl 3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC(C)(OC)C1(C)C
InChIInChI=1S/C11H20O3/c1-10(2)8(9(12)13-4)6-7-11(10,3)14-5/h8H,6-7H2,1-5H3
InChIKeyMQHJOVKVBNTLFA-UHFFFAOYSA-N
XLogP2.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cis-methyl (1S,3R)-3-amino-2,2,3-trimethylcyclopentane-1-carboxylate
CID 10986985
cis-dimethyl (1S,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 6542164
methyl (1R)-2,2-dimethoxycyclobutane-1-carboxylate
CID 124705910
3-[(1R,3S)-3-methoxycarbonyl-1,2,2-trimethylcyclopentyl]propanoic acid
CID 67442387
trans-(1S,3R)-3-methoxycarbonyl-1,2,2-trimethylcyclopentane-1-carboxylic acid;trans-methyl (1R,3S)-3-carbamoyl-2,2,3-trimethylcyclopentane-1-carboxylate
CID 158862340
cis-methyl (1R,3R)-3-[N-(carbamoylamino)-C-methylcarbonimidoyl]-2,2,3-trimethylcyclopentane-1-carboxylate
CID 7159280
trans-methyl (1R,2R)-2-amino-2-methylcyclohexane-1-carboxylate
CID 96839903
N'-hydroxyethanimidamide;trans-(1S,3R)-3-methoxycarbonyl-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 173073537
methyl 4-hydroxy-2,2-dimethyl-4-propan-2-ylcyclohexane-1-carboxylate
CID 90380512
methyl 5,5-dimethylpyrrolidine-2-carboxylate
CID 75088958
methyl 2-methyl-2-trimethylsilyloxycyclopropane-1-carboxylate
CID 12951415
methyl 2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate
CID 71399973

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate?
The IUPAC name of methyl 3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate (CID 58476988) is methyl 3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate is COC(=O)C1CCC(C)(OC)C1(C)C.
What is the InChIKey of methyl 3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate?
The InChIKey is MQHJOVKVBNTLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-10(2)8(9(12)13-4)6-7-11(10,3)14-5/h8H,6-7H2,1-5H3.
What are the key properties of methyl 3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate?
methyl 3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate is sourced from PubChem (CID 58476988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).