7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl 3-hydroxypent-4-enoate

C21H40O4Si — CID 42603703

IUPAC7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl 3-hydroxypent-4-enoate
SMILESC=CCC(CCCCCCOC(=O)CC(O)C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40O4Si/c1-8-14-19(25-26(6,7)21(3,4)5)15-12-10-11-13-16-24-20(23)17-18(22)9-2/h8-9,18-19,22H,1-2,10-17H2,3-7H3
InChIKeyKEWNMQWLUVNMCV-UHFFFAOYSA-N
MW384.63 g/mol
LogP5.38
Rot. Bonds14

About 7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl 3-hydroxypent-4-enoate

7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl 3-hydroxypent-4-enoate (PubChem CID 42603703) has the molecular formula C21H40O4Si and a molecular weight of 384.63 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl 3-hydroxypent-4-enoate.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl 3-hydroxypent-4-enoate
PubChem CID42603703
Molecular FormulaC21H40O4Si
Molecular Weight384.63 g/mol
Exact Mass384.27
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl 3-hydroxypent-4-enoate
SMILESC=CCC(CCCCCCOC(=O)CC(O)C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40O4Si/c1-8-14-19(25-26(6,7)21(3,4)5)15-12-10-11-13-16-24-20(23)17-18(22)9-2/h8-9,18-19,22H,1-2,10-17H2,3-7H3
InChIKeyKEWNMQWLUVNMCV-UHFFFAOYSA-N
XLogP5.38
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.63
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(3R,4S,6R)-3,4-dihydroxytridec-1-en-6-yl] (3S)-3-hydroxypent-4-enoate
CID 49836976
[(3R,4S,6R)-3,4-bis[tri(propan-2-yl)silyloxy]tridec-1-en-6-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 56594146
methyl (5Z,9R,11S,13E,15S)-9-[tert-butyl(dimethyl)silyl]oxy-11,15-dihydroxyicosa-5,13-dienoate
CID 135045945
[(E,6S)-6-hydroxy-8-trimethylsilyloct-7-enyl] 2,2-dimethylpropanoate
CID 10086198
(3R)-5-[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-enoxy]-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid
CID 89570647
(5E)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxacyclotetradec-5-en-2-one
CID 42603704
(3R,4R,5E)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-methyl-1-oxacyclopentadec-5-en-2-one
CID 46919829
(3R,4R,5E)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-methyl-1-oxacyclohexadec-5-en-2-one
CID 46919830
[(3R,4R,6S)-3,4-dihydroxypentadec-1-en-6-yl] (3R)-3-hydroxypent-4-enoate
CID 66561944
[(3S,6S)-3-hydroxypentadec-1-en-6-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 71665639
[(3R,4S,6R)-3,4-bis[tri(propan-2-yl)silyloxy]tridec-1-en-6-yl] (3S)-3-hydroxypent-4-enoate
CID 101541770
7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl (3S)-3-hydroxypent-4-enoate
CID 102286144

Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl 3-hydroxypent-4-enoate?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl 3-hydroxypent-4-enoate (CID 42603703) is 7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl 3-hydroxypent-4-enoate.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl 3-hydroxypent-4-enoate?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl 3-hydroxypent-4-enoate is C=CCC(CCCCCCOC(=O)CC(O)C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl 3-hydroxypent-4-enoate?
The InChIKey is KEWNMQWLUVNMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O4Si/c1-8-14-19(25-26(6,7)21(3,4)5)15-12-10-11-13-16-24-20(23)17-18(22)9-2/h8-9,18-19,22H,1-2,10-17H2,3-7H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl 3-hydroxypent-4-enoate?
7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl 3-hydroxypent-4-enoate has a molecular weight of 384.63 g/mol, XLogP of 5.38, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl 3-hydroxypent-4-enoate is sourced from PubChem (CID 42603703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).