cis-ethyl (1R,2S)-2-methoxycyclohexane-1-carboxylate

C10H18O3 — CID 57224472

IUPACcis-ethyl (1R,2S)-2-methoxycyclohexane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CCCC[C@@H]1OC
InChIInChI=1S/C10H18O3/c1-3-13-10(11)8-6-4-5-7-9(8)12-2/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeySLNLHAPIAZWNLG-BDAKNGLRSA-N
MW186.25 g/mol
LogP1.75
Rot. Bonds3

About cis-ethyl (1R,2S)-2-methoxycyclohexane-1-carboxylate

cis-ethyl (1R,2S)-2-methoxycyclohexane-1-carboxylate (PubChem CID 57224472) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is cis-ethyl (1R,2S)-2-methoxycyclohexane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2S)-2-methoxycyclohexane-1-carboxylate
PubChem CID57224472
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namecis-ethyl (1R,2S)-2-methoxycyclohexane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CCCC[C@@H]1OC
InChIInChI=1S/C10H18O3/c1-3-13-10(11)8-6-4-5-7-9(8)12-2/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeySLNLHAPIAZWNLG-BDAKNGLRSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trans-ethyl (1R,2R)-2-acetyloxycyclohexane-1-carboxylate
CID 101255181
[(1S,2S)-2-ethoxycarbonylcyclohexyl]azanium
CID 6946484
trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate
CID 1268212
trans-ethyl (1S,2S)-2-methylcyclohexane-1-carboxylate
CID 28766550
methyl (1S)-2-methoxycyclopentane-1-carboxylate
CID 59162842
cis-(1R,2S)-2-ethoxycarbonylcyclohexane-1-carboxylate
CID 71423369
ethyl 2-iodocyclohexane-1-carboxylate
CID 153229288
ethyl 2-(hydroxymethyl)cyclohexane-1-carboxylate
CID 69116253
ethyl 2-methylcyclopentane-1-carboxylate
CID 10844634
ethyl (2S)-2-hydroxycyclopentane-1-carboxylate
CID 130360742
ethyl (3R,4R)-4-methoxypyrrolidine-3-carboxylate
CID 167739334
ethyl 2-tert-butylcyclohexane-1-carboxylate
CID 67415687

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2S)-2-methoxycyclohexane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2S)-2-methoxycyclohexane-1-carboxylate (CID 57224472) is cis-ethyl (1R,2S)-2-methoxycyclohexane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2S)-2-methoxycyclohexane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2S)-2-methoxycyclohexane-1-carboxylate is CCOC(=O)[C@@H]1CCCC[C@@H]1OC.
What is the InChIKey of cis-ethyl (1R,2S)-2-methoxycyclohexane-1-carboxylate?
The InChIKey is SLNLHAPIAZWNLG-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-13-10(11)8-6-4-5-7-9(8)12-2/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of cis-ethyl (1R,2S)-2-methoxycyclohexane-1-carboxylate?
cis-ethyl (1R,2S)-2-methoxycyclohexane-1-carboxylate has a molecular weight of 186.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2S)-2-methoxycyclohexane-1-carboxylate is sourced from PubChem (CID 57224472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).