[4-(methoxymethylidene)cyclohexyl] trimethyl silicate

C11H22O5Si — CID 174973413

IUPAC[4-(methoxymethylidene)cyclohexyl] trimethyl silicate
SMILESCOC=C1CCC(O[Si](OC)(OC)OC)CC1
InChIInChI=1S/C11H22O5Si/c1-12-9-10-5-7-11(8-6-10)16-17(13-2,14-3)15-4/h9,11H,5-8H2,1-4H3/b10-9-
InChIKeyQBRXNBRJJPCHKQ-KTKRTIGZSA-N
MW262.38 g/mol
LogP1.85
Rot. Bonds6

About [4-(methoxymethylidene)cyclohexyl] trimethyl silicate

[4-(methoxymethylidene)cyclohexyl] trimethyl silicate (PubChem CID 174973413) has the molecular formula C11H22O5Si and a molecular weight of 262.38 g/mol. Its IUPAC name is [4-(methoxymethylidene)cyclohexyl] trimethyl silicate.

Molecular Properties

Compound Name[4-(methoxymethylidene)cyclohexyl] trimethyl silicate
PubChem CID174973413
Molecular FormulaC11H22O5Si
Molecular Weight262.38 g/mol
Exact Mass262.12
IUPAC Name[4-(methoxymethylidene)cyclohexyl] trimethyl silicate
SMILESCOC=C1CCC(O[Si](OC)(OC)OC)CC1
InChIInChI=1S/C11H22O5Si/c1-12-9-10-5-7-11(8-6-10)16-17(13-2,14-3)15-4/h9,11H,5-8H2,1-4H3/b10-9-
InChIKeyQBRXNBRJJPCHKQ-KTKRTIGZSA-N
XLogP1.85
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethylidene)cyclohexyl] trimethyl silicate?
The IUPAC name of [4-(methoxymethylidene)cyclohexyl] trimethyl silicate (CID 174973413) is [4-(methoxymethylidene)cyclohexyl] trimethyl silicate.
What is the SMILES notation for [4-(methoxymethylidene)cyclohexyl] trimethyl silicate?
The canonical SMILES for [4-(methoxymethylidene)cyclohexyl] trimethyl silicate is COC=C1CCC(O[Si](OC)(OC)OC)CC1.
What is the InChIKey of [4-(methoxymethylidene)cyclohexyl] trimethyl silicate?
The InChIKey is QBRXNBRJJPCHKQ-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H22O5Si/c1-12-9-10-5-7-11(8-6-10)16-17(13-2,14-3)15-4/h9,11H,5-8H2,1-4H3/b10-9-.
What are the key properties of [4-(methoxymethylidene)cyclohexyl] trimethyl silicate?
[4-(methoxymethylidene)cyclohexyl] trimethyl silicate has a molecular weight of 262.38 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethylidene)cyclohexyl] trimethyl silicate is sourced from PubChem (CID 174973413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).