(3R,4S,7S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,8-dimethyldec-9-enoic acid

C18H36O4Si — CID 10991561

IUPAC(3R,4S,7S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,8-dimethyldec-9-enoic acid
SMILESC=C[C@@H](C)[C@@H](O)CC[C@H](C)[C@@H](CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O4Si/c1-9-13(2)15(19)11-10-14(3)16(12-17(20)21)22-23(7,8)18(4,5)6/h9,13-16,19H,1,10-12H2,2-8H3,(H,20,21)/t13-,14+,15+,16-/m1/s1
InChIKeyQAHBBZSLVZOAMY-FXUDXRNXSA-N
MW344.57 g/mol
LogP4.45
Rot. Bonds10

About (3R,4S,7S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,8-dimethyldec-9-enoic acid

(3R,4S,7S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,8-dimethyldec-9-enoic acid (PubChem CID 10991561) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is (3R,4S,7S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,8-dimethyldec-9-enoic acid.

Molecular Properties

Compound Name(3R,4S,7S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,8-dimethyldec-9-enoic acid
PubChem CID10991561
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name(3R,4S,7S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,8-dimethyldec-9-enoic acid
SMILESC=C[C@@H](C)[C@@H](O)CC[C@H](C)[C@@H](CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O4Si/c1-9-13(2)15(19)11-10-14(3)16(12-17(20)21)22-23(7,8)18(4,5)6/h9,13-16,19H,1,10-12H2,2-8H3,(H,20,21)/t13-,14+,15+,16-/m1/s1
InChIKeyQAHBBZSLVZOAMY-FXUDXRNXSA-N
XLogP4.45
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxotridec-12-enoic acid
CID 10280560
(3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-hydroxy-4,4,6,8-tetramethyltridec-12-en-5-one
CID 18393301
(4R,5S,8S)-8-[(2R)-but-3-en-2-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxocan-2-one
CID 10914388
(3S,6R,7S,8S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxy-4,4,6,8-tetramethyltridec-12-en-5-one
CID 11168534
(5S,6S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoic acid
CID 16069439
(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylnon-8-enoic acid
CID 24767554
(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5S,6R)-2,2,5-trimethyl-6-[(2S)-pent-4-en-2-yl]-1,3-dioxan-4-yl]pentanoic acid
CID 44254187
dimethyl 2-[(2S,3R)-2-ethenyl-3-hydroxyundecyl]propanedioate
CID 101544603
(5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoic acid
CID 134867138
(4S,6S)-4-hydroxy-6-[(2R,3R)-3-tri(propan-2-yl)silyloxyhept-6-en-2-yl]oxan-2-one
CID 134918877
(6S,7S,9E,12R)-6-[tert-butyl(dimethyl)silyl]oxy-12-[(E,2S,7S,9R)-7,9-dihydroxy-4-methyldec-4-en-2-yl]-7,9-dimethyl-1-oxacyclododec-9-en-2-one
CID 134937172
(2R,5S,6R,9R)-1,9-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxy-2,6-dimethyltetradec-13-en-7-one
CID 134948846

Frequently Asked Questions

What is the IUPAC name of (3R,4S,7S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,8-dimethyldec-9-enoic acid?
The IUPAC name of (3R,4S,7S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,8-dimethyldec-9-enoic acid (CID 10991561) is (3R,4S,7S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,8-dimethyldec-9-enoic acid.
What is the SMILES notation for (3R,4S,7S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,8-dimethyldec-9-enoic acid?
The canonical SMILES for (3R,4S,7S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,8-dimethyldec-9-enoic acid is C=C[C@@H](C)[C@@H](O)CC[C@H](C)[C@@H](CC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4S,7S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,8-dimethyldec-9-enoic acid?
The InChIKey is QAHBBZSLVZOAMY-FXUDXRNXSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-9-13(2)15(19)11-10-14(3)16(12-17(20)21)22-23(7,8)18(4,5)6/h9,13-16,19H,1,10-12H2,2-8H3,(H,20,21)/t13-,14+,15+,16-/m1/s1.
What are the key properties of (3R,4S,7S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,8-dimethyldec-9-enoic acid?
(3R,4S,7S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,8-dimethyldec-9-enoic acid has a molecular weight of 344.57 g/mol, XLogP of 4.45, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,7S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,8-dimethyldec-9-enoic acid is sourced from PubChem (CID 10991561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).