(7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid

C18H36O3Si — CID 91142109

IUPAC(7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid
SMILESCC(=CCCC(=O)O)C[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H36O3Si/c1-13(2)22(14(3)4,15(5)6)21-17(8)12-16(7)10-9-11-18(19)20/h10,13-15,17H,9,11-12H2,1-8H3,(H,19,20)/t17-/m0/s1
InChIKeyHGTKASOQYZJBCR-KRWDZBQOSA-N
MW328.57 g/mol
LogP5.77
Rot. Bonds10

About (7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid

(7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid (PubChem CID 91142109) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is (7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid.

Molecular Properties

Compound Name(7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid
PubChem CID91142109
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Name(7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid
SMILESCC(=CCCC(=O)O)C[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H36O3Si/c1-13(2)22(14(3)4,15(5)6)21-17(8)12-16(7)10-9-11-18(19)20/h10,13-15,17H,9,11-12H2,1-8H3,(H,19,20)/t17-/m0/s1
InChIKeyHGTKASOQYZJBCR-KRWDZBQOSA-N
XLogP5.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-2-ynoic acid
CID 10924033
(E,2S,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-4-enoic acid
CID 11045712
(3E,5R,6R,7Z,9Z)-5-[tert-butyl(dimethyl)silyl]oxy-3,6,8,10-tetramethyldodeca-3,7,9,11-tetraenoic acid
CID 134841708
(E)-3-tri(propan-2-yl)silyloxydec-5-enoic acid
CID 10545282
(Z)-3-tri(propan-2-yl)silyloxydec-5-enoic acid
CID 10783538
(4E,8E)-3-[tert-butyl(dimethyl)silyl]oxy-5,9,13-trimethyltetradeca-4,8,12-trienoic acid
CID 19705947
3-[Tert-butyl(dimethyl)silyl]oxy-5,9,13-trimethyltetradeca-4,8,12-trienoic acid
CID 53754833
(E,7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-en-2-ynoic acid
CID 58902908
(E,7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid
CID 58902910
(4Z,7Z,10Z,13Z,15E,17S,19Z)-17-[tert-butyl(dimethyl)silyl]oxydocosa-4,7,10,13,15,19-hexaenoic acid
CID 59372883
17-[Tert-butyl(dimethyl)silyl]oxydocosa-4,7,10,13,15,19-hexaenoic acid
CID 72273528
5-Methyl-7-tri(propan-2-yl)silyloxyoct-4-en-2-ynoic acid
CID 72458072

Frequently Asked Questions

What is the IUPAC name of (7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid?
The IUPAC name of (7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid (CID 91142109) is (7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid.
What is the SMILES notation for (7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid?
The canonical SMILES for (7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid is CC(=CCCC(=O)O)C[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid?
The InChIKey is HGTKASOQYZJBCR-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H36O3Si/c1-13(2)22(14(3)4,15(5)6)21-17(8)12-16(7)10-9-11-18(19)20/h10,13-15,17H,9,11-12H2,1-8H3,(H,19,20)/t17-/m0/s1.
What are the key properties of (7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid?
(7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid has a molecular weight of 328.57 g/mol, XLogP of 5.77, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-methyl-7-tri(propan-2-yl)silyloxyoct-4-enoic acid is sourced from PubChem (CID 91142109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).