2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one

C18H32O2Si — CID 164667305

IUPAC2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OC1=CC(C2CCCCC2=O)CCC1
InChIInChI=1S/C18H32O2Si/c1-18(2,3)21(4,5)20-15-10-8-9-14(13-15)16-11-6-7-12-17(16)19/h13-14,16H,6-12H2,1-5H3
InChIKeyDBGLDQFSPZCQQC-UHFFFAOYSA-N
MW308.54 g/mol
LogP5.45
Rot. Bonds3

About 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one

2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one (PubChem CID 164667305) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one
PubChem CID164667305
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Name2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OC1=CC(C2CCCCC2=O)CCC1
InChIInChI=1S/C18H32O2Si/c1-18(2,3)21(4,5)20-15-10-8-9-14(13-15)16-11-6-7-12-17(16)19/h13-14,16H,6-12H2,1-5H3
InChIKeyDBGLDQFSPZCQQC-UHFFFAOYSA-N
XLogP5.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one?
The IUPAC name of 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one (CID 164667305) is 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one?
The canonical SMILES for 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one is CC(C)(C)[Si](C)(C)OC1=CC(C2CCCCC2=O)CCC1.
What is the InChIKey of 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one?
The InChIKey is DBGLDQFSPZCQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-18(2,3)21(4,5)20-15-10-8-9-14(13-15)16-11-6-7-12-17(16)19/h13-14,16H,6-12H2,1-5H3.
What are the key properties of 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one?
2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one has a molecular weight of 308.54 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one is sourced from PubChem (CID 164667305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).