2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl]cyclohexan-1-one

C18H34O2Si — CID 122216788

IUPAC2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl]cyclohexan-1-one
SMILESCCC(/C=C/CO[Si](C)(C)C(C)(C)C)C1CCCCC1=O
InChIInChI=1S/C18H34O2Si/c1-7-15(16-12-8-9-13-17(16)19)11-10-14-20-21(5,6)18(2,3)4/h10-11,15-16H,7-9,12-14H2,1-6H3/b11-10+
InChIKeyDKSKHPGHXCBMLW-ZHACJKMWSA-N
MW310.55 g/mol
LogP5.35
Rot. Bonds6

About 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl]cyclohexan-1-one

2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl]cyclohexan-1-one (PubChem CID 122216788) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl]cyclohexan-1-one
PubChem CID122216788
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl]cyclohexan-1-one
SMILESCCC(/C=C/CO[Si](C)(C)C(C)(C)C)C1CCCCC1=O
InChIInChI=1S/C18H34O2Si/c1-7-15(16-12-8-9-13-17(16)19)11-10-14-20-21(5,6)18(2,3)4/h10-11,15-16H,7-9,12-14H2,1-6H3/b11-10+
InChIKeyDKSKHPGHXCBMLW-ZHACJKMWSA-N
XLogP5.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.35
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'}

Analyze 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl]cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl]cyclohexan-1-one?
The IUPAC name of 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl]cyclohexan-1-one (CID 122216788) is 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl]cyclohexan-1-one?
The canonical SMILES for 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl]cyclohexan-1-one is CCC(/C=C/CO[Si](C)(C)C(C)(C)C)C1CCCCC1=O.
What is the InChIKey of 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl]cyclohexan-1-one?
The InChIKey is DKSKHPGHXCBMLW-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-7-15(16-12-8-9-13-17(16)19)11-10-14-20-21(5,6)18(2,3)4/h10-11,15-16H,7-9,12-14H2,1-6H3/b11-10+.
What are the key properties of 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl]cyclohexan-1-one?
2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl]cyclohexan-1-one has a molecular weight of 310.55 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl]cyclohexan-1-one is sourced from PubChem (CID 122216788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).