tert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoct-7-enoate

C18H36O4Si — CID 11645898

IUPACtert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoct-7-enoate
SMILESC=CCCC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H36O4Si/c1-10-11-12-13-14(19)15(16(20)21-17(2,3)4)22-23(8,9)18(5,6)7/h10,14-15,19H,1,11-13H2,2-9H3/t14-,15-/m1/s1
InChIKeyHFQGKPDHZLBCRN-HUUCEWRRSA-N
MW344.57 g/mol
LogP4.44
Rot. Bonds8

About tert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoct-7-enoate

tert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoct-7-enoate (PubChem CID 11645898) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is tert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoct-7-enoate.

Molecular Properties

Compound Nametert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoct-7-enoate
PubChem CID11645898
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Nametert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoct-7-enoate
SMILESC=CCCC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H36O4Si/c1-10-11-12-13-14(19)15(16(20)21-17(2,3)4)22-23(8,9)18(5,6)7/h10,14-15,19H,1,11-13H2,2-9H3/t14-,15-/m1/s1
InChIKeyHFQGKPDHZLBCRN-HUUCEWRRSA-N
XLogP4.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.44
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

(3-hydroxy-2-trimethylsilyloxypropyl) (9Z,12Z)-octadeca-9,12-dienoate
CID 87962319
1-Monooleoyl glycerol trimethylsilyl ether
CID 87962734
Tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoctanoate
CID 134996680
[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-oxononadecan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
CID 87708887
(1-hydroxy-3-trimethylsilyloxypropan-2-yl) (Z)-octadec-9-enoate
CID 90473321
(3-Hydroxy-2-trimethylsilyloxypropyl) octadec-9-enoate
CID 91053801
(3-Hydroxy-2-trimethylsilyloxypropyl) octadeca-9,12-dienoate
CID 91369822
[3-[tert-butyl(dimethyl)silyl]-3-hydroxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
CID 175537709
(2,3-dihydroxy-1-trimethylsilylpropyl) (Z)-octadec-9-enoate
CID 175965653
(3S,4R,5S)-5-but-3-enyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one
CID 11143852
(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoic acid
CID 11406612
[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] (Z)-octadec-9-enoate
CID 11634201

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoct-7-enoate?
The IUPAC name of tert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoct-7-enoate (CID 11645898) is tert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoct-7-enoate.
What is the SMILES notation for tert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoct-7-enoate?
The canonical SMILES for tert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoct-7-enoate is C=CCCC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoct-7-enoate?
The InChIKey is HFQGKPDHZLBCRN-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-10-11-12-13-14(19)15(16(20)21-17(2,3)4)22-23(8,9)18(5,6)7/h10,14-15,19H,1,11-13H2,2-9H3/t14-,15-/m1/s1.
What are the key properties of tert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoct-7-enoate?
tert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoct-7-enoate has a molecular weight of 344.57 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoct-7-enoate is sourced from PubChem (CID 11645898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).