cis-methyl (1S,3R)-3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate

C11H20O3 — CID 58476984

IUPACcis-methyl (1S,3R)-3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1CC[C@@](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/t8-,11-/m1/s1
InChIKeyMQHJOVKVBNTLFA-LDYMZIIASA-N
MW200.28 g/mol
LogP2.00
Rot. Bonds2

About cis-methyl (1S,3R)-3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate

cis-methyl (1S,3R)-3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate (PubChem CID 58476984) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is cis-methyl (1S,3R)-3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,3R)-3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate
PubChem CID58476984
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Namecis-methyl (1S,3R)-3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1CC[C@@](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/t8-,11-/m1/s1
InChIKeyMQHJOVKVBNTLFA-LDYMZIIASA-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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Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,3R)-3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate?
The IUPAC name of cis-methyl (1S,3R)-3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate (CID 58476984) is cis-methyl (1S,3R)-3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,3R)-3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,3R)-3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate is COC(=O)[C@H]1CC[C@@](C)(OC)C1(C)C.
What is the InChIKey of cis-methyl (1S,3R)-3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate?
The InChIKey is MQHJOVKVBNTLFA-LDYMZIIASA-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/t8-,11-/m1/s1.
What are the key properties of cis-methyl (1S,3R)-3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate?
cis-methyl (1S,3R)-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 cis-methyl (1S,3R)-3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate is sourced from PubChem (CID 58476984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).