(5E)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxacyclotetradec-5-en-2-one

C19H36O4Si — CID 42603704

IUPAC(5E)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxacyclotetradec-5-en-2-one
SMILESCC(C)(C)[Si](C)(C)OC1C/C=C/C(O)CC(=O)OCCCCCC1
InChIInChI=1S/C19H36O4Si/c1-19(2,3)24(4,5)23-17-12-8-6-7-9-14-22-18(21)15-16(20)11-10-13-17/h10-11,16-17,20H,6-9,12-15H2,1-5H3/b11-10+
InChIKeyWVJNUDPYRPNSLX-ZHACJKMWSA-N
MW356.58 g/mol
LogP4.58
Rot. Bonds2

About (5E)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxacyclotetradec-5-en-2-one

(5E)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxacyclotetradec-5-en-2-one (PubChem CID 42603704) has the molecular formula C19H36O4Si and a molecular weight of 356.58 g/mol. Its IUPAC name is (5E)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxacyclotetradec-5-en-2-one.

Molecular Properties

Compound Name(5E)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxacyclotetradec-5-en-2-one
PubChem CID42603704
Molecular FormulaC19H36O4Si
Molecular Weight356.58 g/mol
Exact Mass356.24
IUPAC Name(5E)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxacyclotetradec-5-en-2-one
SMILESCC(C)(C)[Si](C)(C)OC1C/C=C/C(O)CC(=O)OCCCCCC1
InChIInChI=1S/C19H36O4Si/c1-19(2,3)24(4,5)23-17-12-8-6-7-9-14-22-18(21)15-16(20)11-10-13-17/h10-11,16-17,20H,6-9,12-15H2,1-5H3/b11-10+
InChIKeyWVJNUDPYRPNSLX-ZHACJKMWSA-N
XLogP4.58
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Seimatopolide B
CID 57409556
(2R,4S,5E,7S,8S)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one
CID 11091533
(E,3R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-10-methylundec-4-enoic acid
CID 46192662
ethyl (4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodeca-4,6-dienoate
CID 57327644
ethyl (3S,4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodeca-4,6-dienoate
CID 57327646
methyl (E,7S,8R,9R)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxydodec-5-enoate
CID 101166397
(3S,4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodeca-4,6-dienoic acid
CID 134837095
(E,9R,12R,13R)-9-[tert-butyl(dimethyl)silyl]oxy-12,13-dihydroxyoctadec-10-enoic acid
CID 134839438
(2R,3R,4S,5E,7S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-heptyl-7-hydroxy-2,3,4,7,8,9-hexahydrooxecin-10-one
CID 134842208
ethyl (Z,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,6-dimethylhept-5-enoate
CID 134952080
methyl (5Z,9R,11S,13E,15S)-9-[tert-butyl(dimethyl)silyl]oxy-11,15-dihydroxyicosa-5,13-dienoate
CID 135045945
(2S,5S,8R)-5,8-dihydroxy-2-nonyl-2,3,4,5,8,9-hexahydrooxecin-10-one
CID 172014334

Frequently Asked Questions

What is the IUPAC name of (5E)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxacyclotetradec-5-en-2-one?
The IUPAC name of (5E)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxacyclotetradec-5-en-2-one (CID 42603704) is (5E)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxacyclotetradec-5-en-2-one.
What is the SMILES notation for (5E)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxacyclotetradec-5-en-2-one?
The canonical SMILES for (5E)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxacyclotetradec-5-en-2-one is CC(C)(C)[Si](C)(C)OC1C/C=C/C(O)CC(=O)OCCCCCC1.
What is the InChIKey of (5E)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxacyclotetradec-5-en-2-one?
The InChIKey is WVJNUDPYRPNSLX-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H36O4Si/c1-19(2,3)24(4,5)23-17-12-8-6-7-9-14-22-18(21)15-16(20)11-10-13-17/h10-11,16-17,20H,6-9,12-15H2,1-5H3/b11-10+.
What are the key properties of (5E)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxacyclotetradec-5-en-2-one?
(5E)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxacyclotetradec-5-en-2-one has a molecular weight of 356.58 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxacyclotetradec-5-en-2-one is sourced from PubChem (CID 42603704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).