[(Z)-3-(1-trimethylsilyloxycyclohexyl)prop-1-enyl] acetate

C14H26O3Si — CID 11402993

IUPAC[(Z)-3-(1-trimethylsilyloxycyclohexyl)prop-1-enyl] acetate
SMILESCC(=O)O/C=C\CC1(O[Si](C)(C)C)CCCCC1
InChIInChI=1S/C14H26O3Si/c1-13(15)16-12-8-11-14(17-18(2,3)4)9-6-5-7-10-14/h8,12H,5-7,9-11H2,1-4H3/b12-8-
InChIKeyWFPQVJOECXRFHU-WQLSENKSSA-N
MW270.44 g/mol
LogP4.01
Rot. Bonds5

About [(Z)-3-(1-trimethylsilyloxycyclohexyl)prop-1-enyl] acetate

[(Z)-3-(1-trimethylsilyloxycyclohexyl)prop-1-enyl] acetate (PubChem CID 11402993) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is [(Z)-3-(1-trimethylsilyloxycyclohexyl)prop-1-enyl] acetate.

Molecular Properties

Compound Name[(Z)-3-(1-trimethylsilyloxycyclohexyl)prop-1-enyl] acetate
PubChem CID11402993
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name[(Z)-3-(1-trimethylsilyloxycyclohexyl)prop-1-enyl] acetate
SMILESCC(=O)O/C=C\CC1(O[Si](C)(C)C)CCCCC1
InChIInChI=1S/C14H26O3Si/c1-13(15)16-12-8-11-14(17-18(2,3)4)9-6-5-7-10-14/h8,12H,5-7,9-11H2,1-4H3/b12-8-
InChIKeyWFPQVJOECXRFHU-WQLSENKSSA-N
XLogP4.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(Z)-3-(1-trimethylsilyloxycyclohexyl)prop-1-enyl] acetate?
The IUPAC name of [(Z)-3-(1-trimethylsilyloxycyclohexyl)prop-1-enyl] acetate (CID 11402993) is [(Z)-3-(1-trimethylsilyloxycyclohexyl)prop-1-enyl] acetate.
What is the SMILES notation for [(Z)-3-(1-trimethylsilyloxycyclohexyl)prop-1-enyl] acetate?
The canonical SMILES for [(Z)-3-(1-trimethylsilyloxycyclohexyl)prop-1-enyl] acetate is CC(=O)O/C=C\CC1(O[Si](C)(C)C)CCCCC1.
What is the InChIKey of [(Z)-3-(1-trimethylsilyloxycyclohexyl)prop-1-enyl] acetate?
The InChIKey is WFPQVJOECXRFHU-WQLSENKSSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-13(15)16-12-8-11-14(17-18(2,3)4)9-6-5-7-10-14/h8,12H,5-7,9-11H2,1-4H3/b12-8-.
What are the key properties of [(Z)-3-(1-trimethylsilyloxycyclohexyl)prop-1-enyl] acetate?
[(Z)-3-(1-trimethylsilyloxycyclohexyl)prop-1-enyl] acetate has a molecular weight of 270.44 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-(1-trimethylsilyloxycyclohexyl)prop-1-enyl] acetate is sourced from PubChem (CID 11402993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).