cis-methyl (1R,3R)-3-[(4S,5S)-5-[(1R,3R)-3-methoxycarbonyl-2,2-dimethylcyclopropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylcyclopropane-1-carboxylate

C19H30O6 — CID 11068205

IUPACcis-methyl (1R,3R)-3-[(4S,5S)-5-[(1R,3R)-3-methoxycarbonyl-2,2-dimethylcyclopropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@@H]1[C@@H]([C@@H]2OC(C)(C)O[C@H]2[C@@H]2[C@@H](C(=O)OC)C2(C)C)C1(C)C
InChIInChI=1S/C19H30O6/c1-17(2)9(11(17)15(20)22-7)13-14(25-19(5,6)24-13)10-12(16(21)23-8)18(10,3)4/h9-14H,1-8H3/t9-,10-,11-,12-,13-,14-/m0/s1
InChIKeyPLOCHUCDFQIBQI-LHEWDLALSA-N
MW354.44 g/mol
LogP2.40
Rot. Bonds4

About cis-methyl (1R,3R)-3-[(4S,5S)-5-[(1R,3R)-3-methoxycarbonyl-2,2-dimethylcyclopropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylcyclopropane-1-carboxylate

cis-methyl (1R,3R)-3-[(4S,5S)-5-[(1R,3R)-3-methoxycarbonyl-2,2-dimethylcyclopropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 11068205) has the molecular formula C19H30O6 and a molecular weight of 354.44 g/mol. Its IUPAC name is cis-methyl (1R,3R)-3-[(4S,5S)-5-[(1R,3R)-3-methoxycarbonyl-2,2-dimethylcyclopropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,3R)-3-[(4S,5S)-5-[(1R,3R)-3-methoxycarbonyl-2,2-dimethylcyclopropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID11068205
Molecular FormulaC19H30O6
Molecular Weight354.44 g/mol
Exact Mass354.20
IUPAC Namecis-methyl (1R,3R)-3-[(4S,5S)-5-[(1R,3R)-3-methoxycarbonyl-2,2-dimethylcyclopropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@@H]1[C@@H]([C@@H]2OC(C)(C)O[C@H]2[C@@H]2[C@@H](C(=O)OC)C2(C)C)C1(C)C
InChIInChI=1S/C19H30O6/c1-17(2)9(11(17)15(20)22-7)13-14(25-19(5,6)24-13)10-12(16(21)23-8)18(10,3)4/h9-14H,1-8H3/t9-,10-,11-,12-,13-,14-/m0/s1
InChIKeyPLOCHUCDFQIBQI-LHEWDLALSA-N
XLogP2.40
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze cis-methyl (1R,3R)-3-[(4S,5S)-5-[(1R,3R)-3-methoxycarbonyl-2,2-dimethylcyclopropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylcyclopropane-1-carboxylate with MolForge

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Related Compounds

trans-ethyl (1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methylcyclopropane-1-carboxylate
CID 10846964
trans-methyl (1R,3R)-3-[(4R)-5,5-dimethyl-2-sulfanylidene-1,3-dioxolan-4-yl]-2,2-dimethylcyclopropane-1-carboxylate
CID 11196204
(2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxaspiro[2.4]heptan-4-one
CID 11769794
trans-methyl (1R,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylcyclopropane-1-carboxylate
CID 14014235
2-Propylhexyl 3-(5-ethyl-2-oxo-1,3-dioxolan-4-yl)propanoate
CID 23573575
(1R,cis)-2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-ylmethyl)-cyclopropanecarboxyic acid
CID 54153659
(5R)-5-[[1-(5,5-dihydroxy-2,2-dimethyl-1,3-dioxolan-4-yl)spiro[2.5]octan-2-yl]-hydroxymethyl]oxolan-2-one
CID 57175700
(1R)-2,2-dimethyl-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopropane-1-carboxylic acid
CID 70591913
2-methylpropoxycarbonyl (2S,4R)-4-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-2-propan-2-ylpentanoate
CID 89364489
12-Ethyl-3,5,6,11,15,16-hexamethyl-2,8,10,13,18-pentaoxapentacyclo[15.1.0.01,3.07,9.09,11]octadecan-14-one
CID 90320394
methyl (1R,cis)-2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-ylmethyl)cyclopropanecarboxylate
CID 131711900
Ethyl 2,2-dimethyl-3-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)cyclopropane-1-carboxylate
CID 140059006

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,3R)-3-[(4S,5S)-5-[(1R,3R)-3-methoxycarbonyl-2,2-dimethylcyclopropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1R,3R)-3-[(4S,5S)-5-[(1R,3R)-3-methoxycarbonyl-2,2-dimethylcyclopropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylcyclopropane-1-carboxylate (CID 11068205) is cis-methyl (1R,3R)-3-[(4S,5S)-5-[(1R,3R)-3-methoxycarbonyl-2,2-dimethylcyclopropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,3R)-3-[(4S,5S)-5-[(1R,3R)-3-methoxycarbonyl-2,2-dimethylcyclopropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,3R)-3-[(4S,5S)-5-[(1R,3R)-3-methoxycarbonyl-2,2-dimethylcyclopropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylcyclopropane-1-carboxylate is COC(=O)[C@@H]1[C@@H]([C@@H]2OC(C)(C)O[C@H]2[C@@H]2[C@@H](C(=O)OC)C2(C)C)C1(C)C.
What is the InChIKey of cis-methyl (1R,3R)-3-[(4S,5S)-5-[(1R,3R)-3-methoxycarbonyl-2,2-dimethylcyclopropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is PLOCHUCDFQIBQI-LHEWDLALSA-N. The full InChI is InChI=1S/C19H30O6/c1-17(2)9(11(17)15(20)22-7)13-14(25-19(5,6)24-13)10-12(16(21)23-8)18(10,3)4/h9-14H,1-8H3/t9-,10-,11-,12-,13-,14-/m0/s1.
What are the key properties of cis-methyl (1R,3R)-3-[(4S,5S)-5-[(1R,3R)-3-methoxycarbonyl-2,2-dimethylcyclopropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylcyclopropane-1-carboxylate?
cis-methyl (1R,3R)-3-[(4S,5S)-5-[(1R,3R)-3-methoxycarbonyl-2,2-dimethylcyclopropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 354.44 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,3R)-3-[(4S,5S)-5-[(1R,3R)-3-methoxycarbonyl-2,2-dimethylcyclopropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 11068205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).