methyl (1S,6R,7S)-1-tri(propan-2-yl)silyloxybicyclo[4.1.0]heptane-7-carboxylate

C18H34O3Si — CID 11110213

IUPACmethyl (1S,6R,7S)-1-tri(propan-2-yl)silyloxybicyclo[4.1.0]heptane-7-carboxylate
SMILESCOC(=O)[C@H]1[C@H]2CCCC[C@]21O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H34O3Si/c1-12(2)22(13(3)4,14(5)6)21-18-11-9-8-10-15(18)16(18)17(19)20-7/h12-16H,8-11H2,1-7H3/t15-,16-,18+/m1/s1
InChIKeyFAMNZPZSDMVURF-NUJGCVRESA-N
MW326.55 g/mol
LogP4.91
Rot. Bonds6

About methyl (1S,6R,7S)-1-tri(propan-2-yl)silyloxybicyclo[4.1.0]heptane-7-carboxylate

methyl (1S,6R,7S)-1-tri(propan-2-yl)silyloxybicyclo[4.1.0]heptane-7-carboxylate (PubChem CID 11110213) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is methyl (1S,6R,7S)-1-tri(propan-2-yl)silyloxybicyclo[4.1.0]heptane-7-carboxylate.

Molecular Properties

Compound Namemethyl (1S,6R,7S)-1-tri(propan-2-yl)silyloxybicyclo[4.1.0]heptane-7-carboxylate
PubChem CID11110213
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Namemethyl (1S,6R,7S)-1-tri(propan-2-yl)silyloxybicyclo[4.1.0]heptane-7-carboxylate
SMILESCOC(=O)[C@H]1[C@H]2CCCC[C@]21O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H34O3Si/c1-12(2)22(13(3)4,14(5)6)21-18-11-9-8-10-15(18)16(18)17(19)20-7/h12-16H,8-11H2,1-7H3/t15-,16-,18+/m1/s1
InChIKeyFAMNZPZSDMVURF-NUJGCVRESA-N
XLogP4.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (1S,6R,7S)-1-tri(propan-2-yl)silyloxybicyclo[4.1.0]heptane-7-carboxylate with MolForge

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Related Compounds

Methyl (S)-3-((tert-butyldimethylsilyl)oxy)-3-cyclohexylbutanoate
CID 132990803
methyl (1S,6R)-1-methoxybicyclo[4.1.0]heptane-7-carboxylate
CID 134907548
methyl (1R,5S,6R)-1-tri(propan-2-yl)silyloxybicyclo[3.1.0]hexane-6-carboxylate
CID 11120554
ethyl (1S,6R,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate
CID 15359024
tert-butyl (1S,6R,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate
CID 21673925
methyl (1S,5R,6R)-1-tri(propan-2-yl)silyloxybicyclo[3.1.0]hexane-6-carboxylate
CID 10979897
methyl (1R,6S,7S)-1-tri(propan-2-yl)silyloxybicyclo[4.1.0]heptane-7-carboxylate
CID 11077912
methyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate
CID 12647182
methyl (1S,6R,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate
CID 12647183
Methyl 1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate
CID 12647184
ethyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate
CID 15359023
tert-butyl (1R,6S,7S)-1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate
CID 21673926

Frequently Asked Questions

What is the IUPAC name of methyl (1S,6R,7S)-1-tri(propan-2-yl)silyloxybicyclo[4.1.0]heptane-7-carboxylate?
The IUPAC name of methyl (1S,6R,7S)-1-tri(propan-2-yl)silyloxybicyclo[4.1.0]heptane-7-carboxylate (CID 11110213) is methyl (1S,6R,7S)-1-tri(propan-2-yl)silyloxybicyclo[4.1.0]heptane-7-carboxylate.
What is the SMILES notation for methyl (1S,6R,7S)-1-tri(propan-2-yl)silyloxybicyclo[4.1.0]heptane-7-carboxylate?
The canonical SMILES for methyl (1S,6R,7S)-1-tri(propan-2-yl)silyloxybicyclo[4.1.0]heptane-7-carboxylate is COC(=O)[C@H]1[C@H]2CCCC[C@]21O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of methyl (1S,6R,7S)-1-tri(propan-2-yl)silyloxybicyclo[4.1.0]heptane-7-carboxylate?
The InChIKey is FAMNZPZSDMVURF-NUJGCVRESA-N. The full InChI is InChI=1S/C18H34O3Si/c1-12(2)22(13(3)4,14(5)6)21-18-11-9-8-10-15(18)16(18)17(19)20-7/h12-16H,8-11H2,1-7H3/t15-,16-,18+/m1/s1.
What are the key properties of methyl (1S,6R,7S)-1-tri(propan-2-yl)silyloxybicyclo[4.1.0]heptane-7-carboxylate?
methyl (1S,6R,7S)-1-tri(propan-2-yl)silyloxybicyclo[4.1.0]heptane-7-carboxylate has a molecular weight of 326.55 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,6R,7S)-1-tri(propan-2-yl)silyloxybicyclo[4.1.0]heptane-7-carboxylate is sourced from PubChem (CID 11110213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).