trans-ethyl (1R,2R)-2-[(Z)-1-[tert-butyl(dimethyl)silyl]hex-1-en-2-yl]cyclopropane-1-carboxylate

C18H34O2Si — CID 10804932

IUPACtrans-ethyl (1R,2R)-2-[(Z)-1-[tert-butyl(dimethyl)silyl]hex-1-en-2-yl]cyclopropane-1-carboxylate
SMILESCCCC/C(=C/[Si](C)(C)C(C)(C)C)[C@@H]1C[C@H]1C(=O)OCC
InChIInChI=1S/C18H34O2Si/c1-8-10-11-14(13-21(6,7)18(3,4)5)15-12-16(15)17(19)20-9-2/h13,15-16H,8-12H2,1-7H3/b14-13-/t15-,16+/m0/s1
InChIKeyCPPXEWNBHYUHRN-QBXVWJGDSA-N
MW310.55 g/mol
LogP5.35
Rot. Bonds7

About trans-ethyl (1R,2R)-2-[(Z)-1-[tert-butyl(dimethyl)silyl]hex-1-en-2-yl]cyclopropane-1-carboxylate

trans-ethyl (1R,2R)-2-[(Z)-1-[tert-butyl(dimethyl)silyl]hex-1-en-2-yl]cyclopropane-1-carboxylate (PubChem CID 10804932) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is trans-ethyl (1R,2R)-2-[(Z)-1-[tert-butyl(dimethyl)silyl]hex-1-en-2-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1R,2R)-2-[(Z)-1-[tert-butyl(dimethyl)silyl]hex-1-en-2-yl]cyclopropane-1-carboxylate
PubChem CID10804932
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Nametrans-ethyl (1R,2R)-2-[(Z)-1-[tert-butyl(dimethyl)silyl]hex-1-en-2-yl]cyclopropane-1-carboxylate
SMILESCCCC/C(=C/[Si](C)(C)C(C)(C)C)[C@@H]1C[C@H]1C(=O)OCC
InChIInChI=1S/C18H34O2Si/c1-8-10-11-14(13-21(6,7)18(3,4)5)15-12-16(15)17(19)20-9-2/h13,15-16H,8-12H2,1-7H3/b14-13-/t15-,16+/m0/s1
InChIKeyCPPXEWNBHYUHRN-QBXVWJGDSA-N
XLogP5.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-[(3E)-3-(trimethylsilylmethylidene)nonan-2-yl]propanedioate
CID 10992304
ethyl (5E)-4-methyl-5-(trimethylsilyloxymethylidene)heptanoate
CID 13265454
Methyl 17-methyl-trans-4,5-methylenenonadecanoate
CID 129854162
Methyl 11-methylidene-13-triethylsilyltridecanoate
CID 135061991
ethyl (1R,2R,3R)-2-(2-methylprop-2-enyl)-3-[4-tri(propan-2-yl)silyloxybutyl]cyclopropane-1-carboxylate
CID 138979451
Methyl 10-methylidene-12-trimethylsilyldodecanoate
CID 176427897
cis-(15R,16S)-15,16-dimethyl-13-methylidene-oxacyclohexadecan-2-one
CID 10660421
Methyl 2-(2-methylidenebut-3-enyl)-2-trimethylsilyldecanoate
CID 14569487
Ethyl 2,6,8-trimethyl-4-methylideneundecanoate
CID 15332456
11-(1,1,3,3,3-Pentamethyl-disiloxanyl)-undecanoic acid 3,7-dimethyl-oct-6-enyl ester
CID 54318200
3-Methylene-cyclohexanecarboxylic acid 2-trimethylsilanyl-ethyl ester
CID 59733752
Ethyl 2-but-1-en-2-ylcyclopropane-1-carboxylate
CID 123876394

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1R,2R)-2-[(Z)-1-[tert-butyl(dimethyl)silyl]hex-1-en-2-yl]cyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1R,2R)-2-[(Z)-1-[tert-butyl(dimethyl)silyl]hex-1-en-2-yl]cyclopropane-1-carboxylate (CID 10804932) is trans-ethyl (1R,2R)-2-[(Z)-1-[tert-butyl(dimethyl)silyl]hex-1-en-2-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1R,2R)-2-[(Z)-1-[tert-butyl(dimethyl)silyl]hex-1-en-2-yl]cyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1R,2R)-2-[(Z)-1-[tert-butyl(dimethyl)silyl]hex-1-en-2-yl]cyclopropane-1-carboxylate is CCCC/C(=C/[Si](C)(C)C(C)(C)C)[C@@H]1C[C@H]1C(=O)OCC.
What is the InChIKey of trans-ethyl (1R,2R)-2-[(Z)-1-[tert-butyl(dimethyl)silyl]hex-1-en-2-yl]cyclopropane-1-carboxylate?
The InChIKey is CPPXEWNBHYUHRN-QBXVWJGDSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-8-10-11-14(13-21(6,7)18(3,4)5)15-12-16(15)17(19)20-9-2/h13,15-16H,8-12H2,1-7H3/b14-13-/t15-,16+/m0/s1.
What are the key properties of trans-ethyl (1R,2R)-2-[(Z)-1-[tert-butyl(dimethyl)silyl]hex-1-en-2-yl]cyclopropane-1-carboxylate?
trans-ethyl (1R,2R)-2-[(Z)-1-[tert-butyl(dimethyl)silyl]hex-1-en-2-yl]cyclopropane-1-carboxylate has a molecular weight of 310.55 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1R,2R)-2-[(Z)-1-[tert-butyl(dimethyl)silyl]hex-1-en-2-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 10804932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).