6-tri(propan-2-yl)silyloxycycloundec-6-en-1-one

C20H38O2Si — CID 123248744

IUPAC6-tri(propan-2-yl)silyloxycycloundec-6-en-1-one
SMILESCC(C)[Si](OC1=CCCCCC(=O)CCCC1)(C(C)C)C(C)C
InChIInChI=1S/C20H38O2Si/c1-16(2)23(17(3)4,18(5)6)22-20-14-9-7-8-12-19(21)13-10-11-15-20/h14,16-18H,7-13,15H2,1-6H3
InChIKeyIZOGQHHCLPSDMD-UHFFFAOYSA-N
MW338.61 g/mol
LogP6.77
Rot. Bonds5

About 6-tri(propan-2-yl)silyloxycycloundec-6-en-1-one

6-tri(propan-2-yl)silyloxycycloundec-6-en-1-one (PubChem CID 123248744) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is 6-tri(propan-2-yl)silyloxycycloundec-6-en-1-one.

Molecular Properties

Compound Name6-tri(propan-2-yl)silyloxycycloundec-6-en-1-one
PubChem CID123248744
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Name6-tri(propan-2-yl)silyloxycycloundec-6-en-1-one
SMILESCC(C)[Si](OC1=CCCCCC(=O)CCCC1)(C(C)C)C(C)C
InChIInChI=1S/C20H38O2Si/c1-16(2)23(17(3)4,18(5)6)22-20-14-9-7-8-12-19(21)13-10-11-15-20/h14,16-18H,7-13,15H2,1-6H3
InChIKeyIZOGQHHCLPSDMD-UHFFFAOYSA-N
XLogP6.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-tri(propan-2-yl)silyloxycycloundec-6-en-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

Related Compounds

(4E,6R,7R)-4-[tert-butyl(dimethyl)silyl]oxy-7-propyl-6-trimethylsilylcyclooct-4-en-1-one
CID 135067248
Hentriacontane-10,14,16-trione, mono-TMS
CID 5363462
Hentriacontane-14,16-dione, enol monotrimethylsilyl ether
CID 5366350
Hentriacontane-7,16,18-trione O-trimethylsilyl ether
CID 5366388
[dimethyl(octyl)silyl] (Z)-octadec-9-enoate
CID 89814975
1-[Tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-one
CID 91518681
2-[(E)-oct-3-enyl]-3-triethylsilyloxycyclopent-2-en-1-one
CID 142634193
1-[Tert-butyl(dimethyl)silyl]oxyheptadeca-12,16-dien-5-one
CID 153721307
tri(propan-2-yl)silyl (Z)-octadec-9-enoate
CID 156904918
triethylsilyl (Z)-octadec-9-enoate
CID 156904920
Triethyl(undec-1-en-2-yloxy)silane;triethyl(undec-2-en-2-yloxy)silane;trimethyl(undec-1-en-2-yloxy)silane;trimethyl(undec-2-en-2-yloxy)silane;undecan-2-one
CID 157710616
(3E)-2-methyl-4-trimethylsilyloxycyclohexadec-3-en-1-one
CID 11739269

Frequently Asked Questions

What is the IUPAC name of 6-tri(propan-2-yl)silyloxycycloundec-6-en-1-one?
The IUPAC name of 6-tri(propan-2-yl)silyloxycycloundec-6-en-1-one (CID 123248744) is 6-tri(propan-2-yl)silyloxycycloundec-6-en-1-one.
What is the SMILES notation for 6-tri(propan-2-yl)silyloxycycloundec-6-en-1-one?
The canonical SMILES for 6-tri(propan-2-yl)silyloxycycloundec-6-en-1-one is CC(C)[Si](OC1=CCCCCC(=O)CCCC1)(C(C)C)C(C)C.
What is the InChIKey of 6-tri(propan-2-yl)silyloxycycloundec-6-en-1-one?
The InChIKey is IZOGQHHCLPSDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-16(2)23(17(3)4,18(5)6)22-20-14-9-7-8-12-19(21)13-10-11-15-20/h14,16-18H,7-13,15H2,1-6H3.
What are the key properties of 6-tri(propan-2-yl)silyloxycycloundec-6-en-1-one?
6-tri(propan-2-yl)silyloxycycloundec-6-en-1-one has a molecular weight of 338.61 g/mol, XLogP of 6.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tri(propan-2-yl)silyloxycycloundec-6-en-1-one is sourced from PubChem (CID 123248744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).