cis-methyl (1S,2S)-2-butoxy-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclopropane-1-carboxylate

C17H32O4Si — CID 10616286

IUPACcis-methyl (1S,2S)-2-butoxy-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclopropane-1-carboxylate
SMILESC=C(O[Si](C)(C)C(C)(C)C)[C@]1(C(=O)OC)C[C@@H]1OCCCC
InChIInChI=1S/C17H32O4Si/c1-9-10-11-20-14-12-17(14,15(18)19-6)13(2)21-22(7,8)16(3,4)5/h14H,2,9-12H2,1,3-8H3/t14-,17+/m0/s1
InChIKeyNNEJTUDZIFCQQN-WMLDXEAASA-N
MW328.53 g/mol
LogP4.27
Rot. Bonds8

About cis-methyl (1S,2S)-2-butoxy-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclopropane-1-carboxylate

cis-methyl (1S,2S)-2-butoxy-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclopropane-1-carboxylate (PubChem CID 10616286) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is cis-methyl (1S,2S)-2-butoxy-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,2S)-2-butoxy-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclopropane-1-carboxylate
PubChem CID10616286
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Namecis-methyl (1S,2S)-2-butoxy-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclopropane-1-carboxylate
SMILESC=C(O[Si](C)(C)C(C)(C)C)[C@]1(C(=O)OC)C[C@@H]1OCCCC
InChIInChI=1S/C17H32O4Si/c1-9-10-11-20-14-12-17(14,15(18)19-6)13(2)21-22(7,8)16(3,4)5/h14H,2,9-12H2,1,3-8H3/t14-,17+/m0/s1
InChIKeyNNEJTUDZIFCQQN-WMLDXEAASA-N
XLogP4.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,2S)-2-butoxy-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1S,2S)-2-butoxy-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclopropane-1-carboxylate (CID 10616286) is cis-methyl (1S,2S)-2-butoxy-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,2S)-2-butoxy-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,2S)-2-butoxy-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclopropane-1-carboxylate is C=C(O[Si](C)(C)C(C)(C)C)[C@]1(C(=O)OC)C[C@@H]1OCCCC.
What is the InChIKey of cis-methyl (1S,2S)-2-butoxy-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclopropane-1-carboxylate?
The InChIKey is NNEJTUDZIFCQQN-WMLDXEAASA-N. The full InChI is InChI=1S/C17H32O4Si/c1-9-10-11-20-14-12-17(14,15(18)19-6)13(2)21-22(7,8)16(3,4)5/h14H,2,9-12H2,1,3-8H3/t14-,17+/m0/s1.
What are the key properties of cis-methyl (1S,2S)-2-butoxy-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclopropane-1-carboxylate?
cis-methyl (1S,2S)-2-butoxy-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclopropane-1-carboxylate has a molecular weight of 328.53 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,2S)-2-butoxy-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 10616286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).