[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methyl acetate

C20H38O3Si — CID 71817034

IUPAC[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methyl acetate
SMILESCC(=O)OCC1=CC[C@H](C(C)C)[C@@]1(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O3Si/c1-15(2)18-11-10-17(14-22-16(3)21)20(18,7)12-13-23-24(8,9)19(4,5)6/h10,15,18H,11-14H2,1-9H3/t18-,20+/m1/s1
InChIKeyCAKJFDHPLHTTOL-QUCCMNQESA-N
MW354.61 g/mol
LogP5.57
Rot. Bonds7

About [(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methyl acetate

[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methyl acetate (PubChem CID 71817034) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is [(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methyl acetate.

Molecular Properties

Compound Name[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methyl acetate
PubChem CID71817034
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Name[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methyl acetate
SMILESCC(=O)OCC1=CC[C@H](C(C)C)[C@@]1(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O3Si/c1-15(2)18-11-10-17(14-22-16(3)21)20(18,7)12-13-23-24(8,9)19(4,5)6/h10,15,18H,11-14H2,1-9H3/t18-,20+/m1/s1
InChIKeyCAKJFDHPLHTTOL-QUCCMNQESA-N
XLogP5.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(E,4S,5R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-2-methylideneundec-6-enyl] acetate
CID 11292014
[(Z,4S,5R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-2-methylideneundec-6-enyl] acetate
CID 134935065
[(4aS,8aR)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,8a-dihydro-3H-naphthalen-1-yl]methyl acetate
CID 135003428
[(1R,6R)-6-(acetyloxymethyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate
CID 10067774
[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,6,6-trimethylcyclohexen-1-yl]methyl acetate
CID 10497384
ethyl (2Z)-2-[(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3-trimethylcyclopentylidene]acetate
CID 11186872
[(4S,5R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-2-methylideneundec-6-enyl] acetate
CID 177450196

Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methyl acetate?
The IUPAC name of [(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methyl acetate (CID 71817034) is [(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methyl acetate.
What is the SMILES notation for [(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methyl acetate?
The canonical SMILES for [(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methyl acetate is CC(=O)OCC1=CC[C@H](C(C)C)[C@@]1(C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methyl acetate?
The InChIKey is CAKJFDHPLHTTOL-QUCCMNQESA-N. The full InChI is InChI=1S/C20H38O3Si/c1-15(2)18-11-10-17(14-22-16(3)21)20(18,7)12-13-23-24(8,9)19(4,5)6/h10,15,18H,11-14H2,1-9H3/t18-,20+/m1/s1.
What are the key properties of [(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methyl acetate?
[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methyl acetate has a molecular weight of 354.61 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methyl acetate is sourced from PubChem (CID 71817034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).