cis-methoxymethyl (1R,3R)-3-[2,3-bis[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate

C19H32O6 — CID 57110115

IUPACcis-methoxymethyl (1R,3R)-3-[2,3-bis[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
SMILESCOCOC(=O)[C@@H]1[C@@H](C=C(OC(C)(C)C)C(=O)OC(C)(C)C)C1(C)C
InChIInChI=1S/C19H32O6/c1-17(2,3)24-13(15(20)25-18(4,5)6)10-12-14(19(12,7)8)16(21)23-11-22-9/h10,12,14H,11H2,1-9H3/t12-,14+/m1/s1
InChIKeyIASCQAUQCHWKHT-OCCSQVGLSA-N
MW356.46 g/mol
LogP3.45
Rot. Bonds6

About cis-methoxymethyl (1R,3R)-3-[2,3-bis[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate

cis-methoxymethyl (1R,3R)-3-[2,3-bis[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 57110115) has the molecular formula C19H32O6 and a molecular weight of 356.46 g/mol. Its IUPAC name is cis-methoxymethyl (1R,3R)-3-[2,3-bis[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methoxymethyl (1R,3R)-3-[2,3-bis[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID57110115
Molecular FormulaC19H32O6
Molecular Weight356.46 g/mol
Exact Mass356.22
IUPAC Namecis-methoxymethyl (1R,3R)-3-[2,3-bis[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
SMILESCOCOC(=O)[C@@H]1[C@@H](C=C(OC(C)(C)C)C(=O)OC(C)(C)C)C1(C)C
InChIInChI=1S/C19H32O6/c1-17(2,3)24-13(15(20)25-18(4,5)6)10-12-14(19(12,7)8)16(21)23-11-22-9/h10,12,14H,11H2,1-9H3/t12-,14+/m1/s1
InChIKeyIASCQAUQCHWKHT-OCCSQVGLSA-N
XLogP3.45
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-methoxymethyl (1R,3R)-3-[2,3-bis[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of cis-methoxymethyl (1R,3R)-3-[2,3-bis[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate (CID 57110115) is cis-methoxymethyl (1R,3R)-3-[2,3-bis[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-methoxymethyl (1R,3R)-3-[2,3-bis[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for cis-methoxymethyl (1R,3R)-3-[2,3-bis[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate is COCOC(=O)[C@@H]1[C@@H](C=C(OC(C)(C)C)C(=O)OC(C)(C)C)C1(C)C.
What is the InChIKey of cis-methoxymethyl (1R,3R)-3-[2,3-bis[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is IASCQAUQCHWKHT-OCCSQVGLSA-N. The full InChI is InChI=1S/C19H32O6/c1-17(2,3)24-13(15(20)25-18(4,5)6)10-12-14(19(12,7)8)16(21)23-11-22-9/h10,12,14H,11H2,1-9H3/t12-,14+/m1/s1.
What are the key properties of cis-methoxymethyl (1R,3R)-3-[2,3-bis[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate?
cis-methoxymethyl (1R,3R)-3-[2,3-bis[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 356.46 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methoxymethyl (1R,3R)-3-[2,3-bis[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 57110115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).