(11Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxacyclopentadec-11-en-2-one

C20H38O3Si — CID 11727960

IUPAC(11Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxacyclopentadec-11-en-2-one
SMILESCC(C)(C)[Si](C)(C)OC1CCCCCC/C=C\CCCOC(=O)C1
InChIInChI=1S/C20H38O3Si/c1-20(2,3)24(4,5)23-18-15-13-11-9-7-6-8-10-12-14-16-22-19(21)17-18/h8,10,18H,6-7,9,11-17H2,1-5H3/b10-8-
InChIKeyJSZZYQGYENUOMC-NTMALXAHSA-N
MW354.61 g/mol
LogP6.00
Rot. Bonds2

About (11Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxacyclopentadec-11-en-2-one

(11Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxacyclopentadec-11-en-2-one (PubChem CID 11727960) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is (11Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxacyclopentadec-11-en-2-one.

Molecular Properties

Compound Name(11Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxacyclopentadec-11-en-2-one
PubChem CID11727960
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Name(11Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxacyclopentadec-11-en-2-one
SMILESCC(C)(C)[Si](C)(C)OC1CCCCCC/C=C\CCCOC(=O)C1
InChIInChI=1S/C20H38O3Si/c1-20(2,3)24(4,5)23-18-15-13-11-9-7-6-8-10-12-14-16-22-19(21)17-18/h8,10,18H,6-7,9,11-17H2,1-5H3/b10-8-
InChIKeyJSZZYQGYENUOMC-NTMALXAHSA-N
XLogP6.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (11Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxacyclopentadec-11-en-2-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

tert-Butyldimethylsilyl oleate
CID 71571457
1-Monooleoylglycerol trimethylsilyl ether
CID 5366386
9-Octadecenoic acid, 2-[(trimethylsilyl)oxy]-1-[[(trimethylsilyl)oxy]methyl]ethyl ester
CID 5366530
(z,z,z)9,12,15-Octadecatrienoic acid 2,3-bis[(trimethylsilyl)oxy]propyl ester
CID 21160049
13-Trimethylsiloxy 9,11-octadecadienoic methyl ester
CID 85931395
(13s,9e,11e)-Methyl 13-t-butyldimethylsilyloxy-9,11-tetradecadienoate
CID 129703585
9,12,15-Octadecatrienoic acid, 2-[(trimethylsilyl)oxy]-1-[[(trimethylsilyl)oxy]methyl]ethyl ester, (Z,Z,Z)-
CID 5362857
9,12,15-Octadecatrienoic acid, 2,3-bis[(trimethylsilyl)oxy]propyl ester, (Z,Z,Z)-
CID 5366384
9-Octadecenoic acid, 18-(trimethylsiloxy)-, methyl ester
CID 5366421
2,3-Bis[(trimethylsilyl)oxy]propyl (9Z,12Z)-9,12-octadecadienoate
CID 5366692
2-Monolinoleoylglycerol trimethylsilyl ether
CID 5377604
9,12-Octadecadienoic acid, tert-butyldimethylsilyl ester, (Z,Z)-
CID 5379173

Frequently Asked Questions

What is the IUPAC name of (11Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxacyclopentadec-11-en-2-one?
The IUPAC name of (11Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxacyclopentadec-11-en-2-one (CID 11727960) is (11Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxacyclopentadec-11-en-2-one.
What is the SMILES notation for (11Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxacyclopentadec-11-en-2-one?
The canonical SMILES for (11Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxacyclopentadec-11-en-2-one is CC(C)(C)[Si](C)(C)OC1CCCCCC/C=C\CCCOC(=O)C1.
What is the InChIKey of (11Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxacyclopentadec-11-en-2-one?
The InChIKey is JSZZYQGYENUOMC-NTMALXAHSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-20(2,3)24(4,5)23-18-15-13-11-9-7-6-8-10-12-14-16-22-19(21)17-18/h8,10,18H,6-7,9,11-17H2,1-5H3/b10-8-.
What are the key properties of (11Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxacyclopentadec-11-en-2-one?
(11Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxacyclopentadec-11-en-2-one has a molecular weight of 354.61 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxacyclopentadec-11-en-2-one is sourced from PubChem (CID 11727960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).