cis-(8R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-14-pentyl-oxacyclotetradecane-2,5,6-trione

C24H44O5Si — CID 11015682

IUPACcis-(8R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-14-pentyl-oxacyclotetradecane-2,5,6-trione
SMILESCCCCC[C@@H]1CCCCC[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)C(=O)CCC(=O)O1
InChIInChI=1S/C24H44O5Si/c1-7-8-10-13-19-14-11-9-12-15-20(29-30(5,6)24(2,3)4)18-22(26)21(25)16-17-23(27)28-19/h19-20H,7-18H2,1-6H3/t19-,20-/m1/s1
InChIKeyZIOYCTSECBVPTJ-WOJBJXKFSA-N
MW440.70 g/mol
LogP6.14
Rot. Bonds6

About cis-(8R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-14-pentyl-oxacyclotetradecane-2,5,6-trione

cis-(8R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-14-pentyl-oxacyclotetradecane-2,5,6-trione (PubChem CID 11015682) has the molecular formula C24H44O5Si and a molecular weight of 440.70 g/mol. Its IUPAC name is cis-(8R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-14-pentyl-oxacyclotetradecane-2,5,6-trione.

Molecular Properties

Compound Namecis-(8R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-14-pentyl-oxacyclotetradecane-2,5,6-trione
PubChem CID11015682
Molecular FormulaC24H44O5Si
Molecular Weight440.70 g/mol
Exact Mass440.30
IUPAC Namecis-(8R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-14-pentyl-oxacyclotetradecane-2,5,6-trione
SMILESCCCCC[C@@H]1CCCCC[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)C(=O)CCC(=O)O1
InChIInChI=1S/C24H44O5Si/c1-7-8-10-13-19-14-11-9-12-15-20(29-30(5,6)24(2,3)4)18-22(26)21(25)16-17-23(27)28-19/h19-20H,7-18H2,1-6H3/t19-,20-/m1/s1
InChIKeyZIOYCTSECBVPTJ-WOJBJXKFSA-N
XLogP6.14
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.70
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze cis-(8R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-14-pentyl-oxacyclotetradecane-2,5,6-trione with MolForge

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Related Compounds

8-O-tert-butyl 1-O-propan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dioxooctanedioate
CID 11135482
9-[6-[Tert-butyl(dimethyl)silyl]oxy-3-oxohexyl]oxonan-2-one
CID 12380075
methyl 2-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetate
CID 24949357
trans-(10S,12S)-10-[tert-butyl(dimethyl)silyl]oxy-12-methyl-oxacyclododecane-2,5-dione
CID 102168651
methyl 2-[(6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetate
CID 135013074
3-Triethylsilyloxy-oxacyclohexadecane-2,6-dione
CID 21703099
Tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxohexanoate
CID 90353226
tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxohexanoate
CID 90353227
hexan-2-yl (3R)-2-methyl-5-oxo-3-trimethylsilyloxyhexadecanoate
CID 90904685
4,8-Bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione
CID 91350030
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxohexanoate
CID 123756914
8,8-Bis(triethylsilyloxy)-oxacyclohexadecane-2,6-dione
CID 142781200

Frequently Asked Questions

What is the IUPAC name of cis-(8R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-14-pentyl-oxacyclotetradecane-2,5,6-trione?
The IUPAC name of cis-(8R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-14-pentyl-oxacyclotetradecane-2,5,6-trione (CID 11015682) is cis-(8R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-14-pentyl-oxacyclotetradecane-2,5,6-trione.
What is the SMILES notation for cis-(8R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-14-pentyl-oxacyclotetradecane-2,5,6-trione?
The canonical SMILES for cis-(8R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-14-pentyl-oxacyclotetradecane-2,5,6-trione is CCCCC[C@@H]1CCCCC[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)C(=O)CCC(=O)O1.
What is the InChIKey of cis-(8R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-14-pentyl-oxacyclotetradecane-2,5,6-trione?
The InChIKey is ZIOYCTSECBVPTJ-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H44O5Si/c1-7-8-10-13-19-14-11-9-12-15-20(29-30(5,6)24(2,3)4)18-22(26)21(25)16-17-23(27)28-19/h19-20H,7-18H2,1-6H3/t19-,20-/m1/s1.
What are the key properties of cis-(8R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-14-pentyl-oxacyclotetradecane-2,5,6-trione?
cis-(8R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-14-pentyl-oxacyclotetradecane-2,5,6-trione has a molecular weight of 440.70 g/mol, XLogP of 6.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(8R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-14-pentyl-oxacyclotetradecane-2,5,6-trione is sourced from PubChem (CID 11015682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).