3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,2-bis(prop-2-enyl)cyclohexan-1-one

C19H34O2Si — CID 66910075

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,2-bis(prop-2-enyl)cyclohexan-1-one
SMILESC=CCC1(CC=C)C(=O)CC(C)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O2Si/c1-9-11-19(12-10-2)16(20)13-15(3)14-17(19)21-22(7,8)18(4,5)6/h9-10,15,17H,1-2,11-14H2,3-8H3
InChIKeyYCWUEGAADKEDFO-UHFFFAOYSA-N
MW322.57 g/mol
LogP5.51
Rot. Bonds6

About 3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,2-bis(prop-2-enyl)cyclohexan-1-one

3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,2-bis(prop-2-enyl)cyclohexan-1-one (PubChem CID 66910075) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,2-bis(prop-2-enyl)cyclohexan-1-one.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,2-bis(prop-2-enyl)cyclohexan-1-one
PubChem CID66910075
Molecular FormulaC19H34O2Si
Molecular Weight322.57 g/mol
Exact Mass322.23
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,2-bis(prop-2-enyl)cyclohexan-1-one
SMILESC=CCC1(CC=C)C(=O)CC(C)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O2Si/c1-9-11-19(12-10-2)16(20)13-15(3)14-17(19)21-22(7,8)18(4,5)6/h9-10,15,17H,1-2,11-14H2,3-8H3
InChIKeyYCWUEGAADKEDFO-UHFFFAOYSA-N
XLogP5.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.57
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,2-bis(prop-2-enyl)cyclohexan-1-one?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,2-bis(prop-2-enyl)cyclohexan-1-one (CID 66910075) is 3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,2-bis(prop-2-enyl)cyclohexan-1-one.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,2-bis(prop-2-enyl)cyclohexan-1-one?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,2-bis(prop-2-enyl)cyclohexan-1-one is C=CCC1(CC=C)C(=O)CC(C)CC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,2-bis(prop-2-enyl)cyclohexan-1-one?
The InChIKey is YCWUEGAADKEDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2Si/c1-9-11-19(12-10-2)16(20)13-15(3)14-17(19)21-22(7,8)18(4,5)6/h9-10,15,17H,1-2,11-14H2,3-8H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,2-bis(prop-2-enyl)cyclohexan-1-one?
3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,2-bis(prop-2-enyl)cyclohexan-1-one has a molecular weight of 322.57 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,2-bis(prop-2-enyl)cyclohexan-1-one is sourced from PubChem (CID 66910075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).