cis-ethyl (1R,3R)-2,2-dimethoxy-3-methylcyclopropane-1-carboxylate

C9H16O4 — CID 10877885

IUPACcis-ethyl (1R,3R)-2,2-dimethoxy-3-methylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1[C@@H](C)C1(OC)OC
InChIInChI=1S/C9H16O4/c1-5-13-8(10)7-6(2)9(7,11-3)12-4/h6-7H,5H2,1-4H3/t6-,7+/m1/s1
InChIKeyBRQVWVDQCXJKSK-RQJHMYQMSA-N
MW188.22 g/mol
LogP0.80
Rot. Bonds4

About cis-ethyl (1R,3R)-2,2-dimethoxy-3-methylcyclopropane-1-carboxylate

cis-ethyl (1R,3R)-2,2-dimethoxy-3-methylcyclopropane-1-carboxylate (PubChem CID 10877885) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is cis-ethyl (1R,3R)-2,2-dimethoxy-3-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,3R)-2,2-dimethoxy-3-methylcyclopropane-1-carboxylate
PubChem CID10877885
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Namecis-ethyl (1R,3R)-2,2-dimethoxy-3-methylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1[C@@H](C)C1(OC)OC
InChIInChI=1S/C9H16O4/c1-5-13-8(10)7-6(2)9(7,11-3)12-4/h6-7H,5H2,1-4H3/t6-,7+/m1/s1
InChIKeyBRQVWVDQCXJKSK-RQJHMYQMSA-N
XLogP0.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.80
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

Ethyl 2,2-dimethoxy-3,3-dimethylcyclopropane-1-carboxylate
CID 10330485
Ethyl 2,2-dimethoxycyclopropane-1-carboxylate
CID 10986768
Ethyl 2,2-dimethoxy-3-methylcyclopropane-1-carboxylate
CID 13419068
Ethyl 2-acetyloxy-1-fluoro-2-methylcyclopropane-1-carboxylate
CID 129214254
trans-ethyl (1R,2R)-2-methoxy-2-methylcyclopropane-1-carboxylate
CID 11030087
Ethyl 3-ethyl-2,2-dimethoxycyclopropane-1-carboxylate
CID 11571981
Ethyl 2,2-diethoxycyclopropane-1-carboxylate
CID 13419066
Ethyl 2,2-diethoxy-3-methylcyclopropane-1-carboxylate
CID 13419069
cis-ethyl (1R,2S)-2-methoxy-2-methylcyclopropane-1-carboxylate
CID 101383782
5-Ethoxy-3-(methoxymethyl)-5-methyloxolan-2-one
CID 162400111
Ethyl 2-methoxy-2-methylcyclopropane-1-carboxylate
CID 12731311
Ethyl 4-propoxy-2-ethoxycarbonylvalerate
CID 19880013

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,3R)-2,2-dimethoxy-3-methylcyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,3R)-2,2-dimethoxy-3-methylcyclopropane-1-carboxylate (CID 10877885) is cis-ethyl (1R,3R)-2,2-dimethoxy-3-methylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,3R)-2,2-dimethoxy-3-methylcyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,3R)-2,2-dimethoxy-3-methylcyclopropane-1-carboxylate is CCOC(=O)[C@@H]1[C@@H](C)C1(OC)OC.
What is the InChIKey of cis-ethyl (1R,3R)-2,2-dimethoxy-3-methylcyclopropane-1-carboxylate?
The InChIKey is BRQVWVDQCXJKSK-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H16O4/c1-5-13-8(10)7-6(2)9(7,11-3)12-4/h6-7H,5H2,1-4H3/t6-,7+/m1/s1.
What are the key properties of cis-ethyl (1R,3R)-2,2-dimethoxy-3-methylcyclopropane-1-carboxylate?
cis-ethyl (1R,3R)-2,2-dimethoxy-3-methylcyclopropane-1-carboxylate has a molecular weight of 188.22 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,3R)-2,2-dimethoxy-3-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 10877885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).