methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,3-diene-1-carboxylate

C14H24O3Si — CID 11108372

IUPACmethyl (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,3-diene-1-carboxylate
SMILESCOC(=O)C1=CC=C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H24O3Si/c1-14(2,3)18(5,6)17-12-9-7-8-11(10-12)13(15)16-4/h7-9,12H,10H2,1-6H3/t12-/m1/s1
InChIKeyRPXKTGOWROXHFD-GFCCVEGCSA-N
MW268.43 g/mol
LogP3.44
Rot. Bonds3

About methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,3-diene-1-carboxylate

methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,3-diene-1-carboxylate (PubChem CID 11108372) has the molecular formula C14H24O3Si and a molecular weight of 268.43 g/mol. Its IUPAC name is methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,3-diene-1-carboxylate.

Molecular Properties

Compound Namemethyl (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,3-diene-1-carboxylate
PubChem CID11108372
Molecular FormulaC14H24O3Si
Molecular Weight268.43 g/mol
Exact Mass268.15
IUPAC Namemethyl (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,3-diene-1-carboxylate
SMILESCOC(=O)C1=CC=C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H24O3Si/c1-14(2,3)18(5,6)17-12-9-7-8-11(10-12)13(15)16-4/h7-9,12H,10H2,1-6H3/t12-/m1/s1
InChIKeyRPXKTGOWROXHFD-GFCCVEGCSA-N
XLogP3.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-propan-2-ylcyclohexa-1,3-diene-1-carboxylate
CID 123847160
methyl (3aR,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate
CID 91058414
methyl 5-(dicyanomethyl)cyclohexa-1,3-diene-1-carboxylate
CID 13445040
methyl (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclohexene-1-carboxylate
CID 134964315
methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]cyclopentene-1-carboxylate
CID 11760796
tert-butyl N-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]carbamate
CID 25112436
methyl (1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopentane-1-carboxylate
CID 101092609
methyl (2R)-2-methyl-2,3-dihydrofuran-4-carboxylate
CID 97303919
[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] acetate
CID 10978542
tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 10728073
5-ethoxycyclohexa-1,3-diene-1-carboxylic acid
CID 123208544
methyl 2-hydroxy-2H-pyran-6-carboxylate
CID 174562312

Frequently Asked Questions

What is the IUPAC name of methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,3-diene-1-carboxylate?
The IUPAC name of methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,3-diene-1-carboxylate (CID 11108372) is methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,3-diene-1-carboxylate.
What is the SMILES notation for methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,3-diene-1-carboxylate?
The canonical SMILES for methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,3-diene-1-carboxylate is COC(=O)C1=CC=C[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,3-diene-1-carboxylate?
The InChIKey is RPXKTGOWROXHFD-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24O3Si/c1-14(2,3)18(5,6)17-12-9-7-8-11(10-12)13(15)16-4/h7-9,12H,10H2,1-6H3/t12-/m1/s1.
What are the key properties of methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,3-diene-1-carboxylate?
methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,3-diene-1-carboxylate has a molecular weight of 268.43 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,3-diene-1-carboxylate is sourced from PubChem (CID 11108372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).