trans-methyl (1R,3R)-2-methylidene-1-(2-oxoethyl)-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate

C20H36O4Si — CID 154707334

IUPACtrans-methyl (1R,3R)-2-methylidene-1-(2-oxoethyl)-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate
SMILESC=C1[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)CC[C@]1(CC=O)C(=O)OC
InChIInChI=1S/C20H36O4Si/c1-14(2)25(15(3)4,16(5)6)24-13-18-9-10-20(11-12-21,17(18)7)19(22)23-8/h12,14-16,18H,7,9-11,13H2,1-6,8H3/t18-,20+/m0/s1
InChIKeyMOODZXSSVCRVLW-AZUAARDMSA-N
MW368.59 g/mol
LogP4.89
Rot. Bonds9

About trans-methyl (1R,3R)-2-methylidene-1-(2-oxoethyl)-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate

trans-methyl (1R,3R)-2-methylidene-1-(2-oxoethyl)-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate (PubChem CID 154707334) has the molecular formula C20H36O4Si and a molecular weight of 368.59 g/mol. Its IUPAC name is trans-methyl (1R,3R)-2-methylidene-1-(2-oxoethyl)-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1R,3R)-2-methylidene-1-(2-oxoethyl)-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate
PubChem CID154707334
Molecular FormulaC20H36O4Si
Molecular Weight368.59 g/mol
Exact Mass368.24
IUPAC Nametrans-methyl (1R,3R)-2-methylidene-1-(2-oxoethyl)-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate
SMILESC=C1[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)CC[C@]1(CC=O)C(=O)OC
InChIInChI=1S/C20H36O4Si/c1-14(2)25(15(3)4,16(5)6)24-13-18-9-10-20(11-12-21,17(18)7)19(22)23-8/h12,14-16,18H,7,9-11,13H2,1-6,8H3/t18-,20+/m0/s1
InChIKeyMOODZXSSVCRVLW-AZUAARDMSA-N
XLogP4.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-methyl (1R,3R)-2-methylidene-1-(2-oxoethyl)-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate?
The IUPAC name of trans-methyl (1R,3R)-2-methylidene-1-(2-oxoethyl)-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate (CID 154707334) is trans-methyl (1R,3R)-2-methylidene-1-(2-oxoethyl)-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for trans-methyl (1R,3R)-2-methylidene-1-(2-oxoethyl)-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate?
The canonical SMILES for trans-methyl (1R,3R)-2-methylidene-1-(2-oxoethyl)-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate is C=C1[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)CC[C@]1(CC=O)C(=O)OC.
What is the InChIKey of trans-methyl (1R,3R)-2-methylidene-1-(2-oxoethyl)-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate?
The InChIKey is MOODZXSSVCRVLW-AZUAARDMSA-N. The full InChI is InChI=1S/C20H36O4Si/c1-14(2)25(15(3)4,16(5)6)24-13-18-9-10-20(11-12-21,17(18)7)19(22)23-8/h12,14-16,18H,7,9-11,13H2,1-6,8H3/t18-,20+/m0/s1.
What are the key properties of trans-methyl (1R,3R)-2-methylidene-1-(2-oxoethyl)-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate?
trans-methyl (1R,3R)-2-methylidene-1-(2-oxoethyl)-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate has a molecular weight of 368.59 g/mol, XLogP of 4.89, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1R,3R)-2-methylidene-1-(2-oxoethyl)-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 154707334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).