methyl 1-(1-trimethylsilyloxycyclopropyl)cyclohexa-2,4-diene-1-carboxylate

C14H22O3Si — CID 163361397

IUPACmethyl 1-(1-trimethylsilyloxycyclopropyl)cyclohexa-2,4-diene-1-carboxylate
SMILESCOC(=O)C1(C2(O[Si](C)(C)C)CC2)C=CC=CC1
InChIInChI=1S/C14H22O3Si/c1-16-12(15)13(8-6-5-7-9-13)14(10-11-14)17-18(2,3)4/h5-8H,9-11H2,1-4H3
InChIKeyJXGOIEUUQZVDQX-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.05
Rot. Bonds4

About methyl 1-(1-trimethylsilyloxycyclopropyl)cyclohexa-2,4-diene-1-carboxylate

methyl 1-(1-trimethylsilyloxycyclopropyl)cyclohexa-2,4-diene-1-carboxylate (PubChem CID 163361397) has the molecular formula C14H22O3Si and a molecular weight of 266.41 g/mol. Its IUPAC name is methyl 1-(1-trimethylsilyloxycyclopropyl)cyclohexa-2,4-diene-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-trimethylsilyloxycyclopropyl)cyclohexa-2,4-diene-1-carboxylate
PubChem CID163361397
Molecular FormulaC14H22O3Si
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Namemethyl 1-(1-trimethylsilyloxycyclopropyl)cyclohexa-2,4-diene-1-carboxylate
SMILESCOC(=O)C1(C2(O[Si](C)(C)C)CC2)C=CC=CC1
InChIInChI=1S/C14H22O3Si/c1-16-12(15)13(8-6-5-7-9-13)14(10-11-14)17-18(2,3)4/h5-8H,9-11H2,1-4H3
InChIKeyJXGOIEUUQZVDQX-UHFFFAOYSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-trimethylsilyloxycyclopropyl)cyclohexa-2,4-diene-1-carboxylate?
The IUPAC name of methyl 1-(1-trimethylsilyloxycyclopropyl)cyclohexa-2,4-diene-1-carboxylate (CID 163361397) is methyl 1-(1-trimethylsilyloxycyclopropyl)cyclohexa-2,4-diene-1-carboxylate.
What is the SMILES notation for methyl 1-(1-trimethylsilyloxycyclopropyl)cyclohexa-2,4-diene-1-carboxylate?
The canonical SMILES for methyl 1-(1-trimethylsilyloxycyclopropyl)cyclohexa-2,4-diene-1-carboxylate is COC(=O)C1(C2(O[Si](C)(C)C)CC2)C=CC=CC1.
What is the InChIKey of methyl 1-(1-trimethylsilyloxycyclopropyl)cyclohexa-2,4-diene-1-carboxylate?
The InChIKey is JXGOIEUUQZVDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3Si/c1-16-12(15)13(8-6-5-7-9-13)14(10-11-14)17-18(2,3)4/h5-8H,9-11H2,1-4H3.
What are the key properties of methyl 1-(1-trimethylsilyloxycyclopropyl)cyclohexa-2,4-diene-1-carboxylate?
methyl 1-(1-trimethylsilyloxycyclopropyl)cyclohexa-2,4-diene-1-carboxylate has a molecular weight of 266.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-trimethylsilyloxycyclopropyl)cyclohexa-2,4-diene-1-carboxylate is sourced from PubChem (CID 163361397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).