cis-methyl (1R,3S)-3-ethylcyclopentane-1-carboxylate

C9H16O2 — CID 129368474

IUPACcis-methyl (1R,3S)-3-ethylcyclopentane-1-carboxylate
SMILESCC[C@H]1CC[C@@H](C(=O)OC)C1
InChIInChI=1S/C9H16O2/c1-3-7-4-5-8(6-7)9(10)11-2/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyOPPQXFJWBOHJKL-JGVFFNPUSA-N
MW156.22 g/mol
LogP1.99
Rot. Bonds2

About cis-methyl (1R,3S)-3-ethylcyclopentane-1-carboxylate

cis-methyl (1R,3S)-3-ethylcyclopentane-1-carboxylate (PubChem CID 129368474) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is cis-methyl (1R,3S)-3-ethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,3S)-3-ethylcyclopentane-1-carboxylate
PubChem CID129368474
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namecis-methyl (1R,3S)-3-ethylcyclopentane-1-carboxylate
SMILESCC[C@H]1CC[C@@H](C(=O)OC)C1
InChIInChI=1S/C9H16O2/c1-3-7-4-5-8(6-7)9(10)11-2/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyOPPQXFJWBOHJKL-JGVFFNPUSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride
CID 163685796
dimethyl 4-ethylcyclohexane-1,2-dicarboxylate
CID 123726982
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
(3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone
CID 65406793
methyl 4-[2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]ethyl]cyclohexane-1-carboxylate
CID 70376540
trimethyl (1R,2R,4R)-cyclohexane-1,2,4-tricarboxylate
CID 12616208
methyl 3-propylcyclobutane-1-carboxylate
CID 97034582
methyl 4-(bromomethyl)cyclohexane-1-carboxylate
CID 19688454
cis-(1S,3R)-3-methoxycarbonylcyclopentane-1-carboxylic acid
CID 10888375
methyl (1R)-3-hydroxycyclopentane-1-carboxylate
CID 90130718
cis-methyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate
CID 58928079
cis-methyl (1S,3R)-3-(methylamino)cyclopentane-1-carboxylate
CID 90378778

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,3S)-3-ethylcyclopentane-1-carboxylate?
The IUPAC name of cis-methyl (1R,3S)-3-ethylcyclopentane-1-carboxylate (CID 129368474) is cis-methyl (1R,3S)-3-ethylcyclopentane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,3S)-3-ethylcyclopentane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,3S)-3-ethylcyclopentane-1-carboxylate is CC[C@H]1CC[C@@H](C(=O)OC)C1.
What is the InChIKey of cis-methyl (1R,3S)-3-ethylcyclopentane-1-carboxylate?
The InChIKey is OPPQXFJWBOHJKL-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-7-4-5-8(6-7)9(10)11-2/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of cis-methyl (1R,3S)-3-ethylcyclopentane-1-carboxylate?
cis-methyl (1R,3S)-3-ethylcyclopentane-1-carboxylate has a molecular weight of 156.22 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,3S)-3-ethylcyclopentane-1-carboxylate is sourced from PubChem (CID 129368474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).