(2S)-2-tri(propan-2-yl)silyloxyhex-5-en-3-ol;(2S)-2-tri(propan-2-yl)silyloxypropanal

C27H58O4Si2 — CID 163884444

IUPAC(2S)-2-tri(propan-2-yl)silyloxyhex-5-en-3-ol;(2S)-2-tri(propan-2-yl)silyloxypropanal
SMILESC=CCC(O)[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C.CC(C)[Si](O[C@@H](C)C=O)(C(C)C)C(C)C
InChIInChI=1S/C15H32O2Si.C12H26O2Si/c1-9-10-15(16)14(8)17-18(11(2)3,12(4)5)13(6)7;1-9(2)15(10(3)4,11(5)6)14-12(7)8-13/h9,11-16H,1,10H2,2-8H3;8-12H,1-7H3/t14-,15?;12-/m00/s1
InChIKeyPWDBDAWHANZPFY-ZHSNYSNOSA-N
MW502.93 g/mol
LogP8.27
Rot. Bonds14

About (2S)-2-tri(propan-2-yl)silyloxyhex-5-en-3-ol;(2S)-2-tri(propan-2-yl)silyloxypropanal

(2S)-2-tri(propan-2-yl)silyloxyhex-5-en-3-ol;(2S)-2-tri(propan-2-yl)silyloxypropanal (PubChem CID 163884444) has the molecular formula C27H58O4Si2 and a molecular weight of 502.93 g/mol. Its IUPAC name is (2S)-2-tri(propan-2-yl)silyloxyhex-5-en-3-ol;(2S)-2-tri(propan-2-yl)silyloxypropanal.

Molecular Properties

Compound Name(2S)-2-tri(propan-2-yl)silyloxyhex-5-en-3-ol;(2S)-2-tri(propan-2-yl)silyloxypropanal
PubChem CID163884444
Molecular FormulaC27H58O4Si2
Molecular Weight502.93 g/mol
Exact Mass502.39
IUPAC Name(2S)-2-tri(propan-2-yl)silyloxyhex-5-en-3-ol;(2S)-2-tri(propan-2-yl)silyloxypropanal
SMILESC=CCC(O)[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C.CC(C)[Si](O[C@@H](C)C=O)(C(C)C)C(C)C
InChIInChI=1S/C15H32O2Si.C12H26O2Si/c1-9-10-15(16)14(8)17-18(11(2)3,12(4)5)13(6)7;1-9(2)15(10(3)4,11(5)6)14-12(7)8-13/h9,11-16H,1,10H2,2-8H3;8-12H,1-7H3/t14-,15?;12-/m00/s1
InChIKeyPWDBDAWHANZPFY-ZHSNYSNOSA-N
XLogP8.27
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.93
LogP ≤ 58.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-tri(propan-2-yl)silyloxypropanal
CID 11075239
(2S,3R)-2-[(1R)-1-tri(propan-2-yl)silyloxybut-3-enyl]hex-5-ene-1,3-diol
CID 10497523
(2R)-2-methylhex-5-ene-1,3-diol
CID 130652300
1-methoxy-2-methylhex-5-en-3-ol
CID 116502507
(2S,3S)-3-tri(propan-2-yl)silyloxybutan-2-ol
CID 11118360
3-tri(propan-2-yl)silyloxybutanal
CID 46210548
3-methylhept-6-ene-2,4-diol
CID 66895376
ethane;5-methyloct-1-en-4-ol
CID 142059047
3-hydroxy-2-methylhex-5-enoic acid
CID 174792452
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol
CID 11276618
(2R)-2-methylpent-4-enal;(2S)-2-methylpent-4-enal
CID 159356826
[(2S,3S)-3-hydroxyhex-5-en-2-yl] benzoate
CID 134930488

Frequently Asked Questions

What is the IUPAC name of (2S)-2-tri(propan-2-yl)silyloxyhex-5-en-3-ol;(2S)-2-tri(propan-2-yl)silyloxypropanal?
The IUPAC name of (2S)-2-tri(propan-2-yl)silyloxyhex-5-en-3-ol;(2S)-2-tri(propan-2-yl)silyloxypropanal (CID 163884444) is (2S)-2-tri(propan-2-yl)silyloxyhex-5-en-3-ol;(2S)-2-tri(propan-2-yl)silyloxypropanal.
What is the SMILES notation for (2S)-2-tri(propan-2-yl)silyloxyhex-5-en-3-ol;(2S)-2-tri(propan-2-yl)silyloxypropanal?
The canonical SMILES for (2S)-2-tri(propan-2-yl)silyloxyhex-5-en-3-ol;(2S)-2-tri(propan-2-yl)silyloxypropanal is C=CCC(O)[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C.CC(C)[Si](O[C@@H](C)C=O)(C(C)C)C(C)C.
What is the InChIKey of (2S)-2-tri(propan-2-yl)silyloxyhex-5-en-3-ol;(2S)-2-tri(propan-2-yl)silyloxypropanal?
The InChIKey is PWDBDAWHANZPFY-ZHSNYSNOSA-N. The full InChI is InChI=1S/C15H32O2Si.C12H26O2Si/c1-9-10-15(16)14(8)17-18(11(2)3,12(4)5)13(6)7;1-9(2)15(10(3)4,11(5)6)14-12(7)8-13/h9,11-16H,1,10H2,2-8H3;8-12H,1-7H3/t14-,15?;12-/m00/s1.
What are the key properties of (2S)-2-tri(propan-2-yl)silyloxyhex-5-en-3-ol;(2S)-2-tri(propan-2-yl)silyloxypropanal?
(2S)-2-tri(propan-2-yl)silyloxyhex-5-en-3-ol;(2S)-2-tri(propan-2-yl)silyloxypropanal has a molecular weight of 502.93 g/mol, XLogP of 8.27, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tri(propan-2-yl)silyloxyhex-5-en-3-ol;(2S)-2-tri(propan-2-yl)silyloxypropanal is sourced from PubChem (CID 163884444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).