(3S,5S)-5-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-(methoxymethoxy)oct-7-enal

C26H50O5Si — CID 11518445

IUPAC(3S,5S)-5-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-(methoxymethoxy)oct-7-enal
SMILESC=CC[C@@H](C[C@@H](CC=O)OCOC)O[C@H](C=C)C(C)(C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H50O5Si/c1-12-14-24(17-23(15-16-27)29-19-28-11)31-25(13-2)26(9,10)18-30-32(20(3)4,21(5)6)22(7)8/h12-13,16,20-25H,1-2,14-15,17-19H2,3-11H3/t23-,24+,25-/m1/s1
InChIKeyWYBDFRNRXCUXRU-DSNGMDLFSA-N
MW470.77 g/mol
LogP6.69
Rot. Bonds19

About (3S,5S)-5-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-(methoxymethoxy)oct-7-enal

(3S,5S)-5-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-(methoxymethoxy)oct-7-enal (PubChem CID 11518445) has the molecular formula C26H50O5Si and a molecular weight of 470.77 g/mol. Its IUPAC name is (3S,5S)-5-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-(methoxymethoxy)oct-7-enal.

Molecular Properties

Compound Name(3S,5S)-5-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-(methoxymethoxy)oct-7-enal
PubChem CID11518445
Molecular FormulaC26H50O5Si
Molecular Weight470.77 g/mol
Exact Mass470.34
IUPAC Name(3S,5S)-5-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-(methoxymethoxy)oct-7-enal
SMILESC=CC[C@@H](C[C@@H](CC=O)OCOC)O[C@H](C=C)C(C)(C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H50O5Si/c1-12-14-24(17-23(15-16-27)29-19-28-11)31-25(13-2)26(9,10)18-30-32(20(3)4,21(5)6)22(7)8/h12-13,16,20-25H,1-2,14-15,17-19H2,3-11H3/t23-,24+,25-/m1/s1
InChIKeyWYBDFRNRXCUXRU-DSNGMDLFSA-N
XLogP6.69
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.77
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enal
CID 162517828
(E,3S,5R)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxyoct-6-enal
CID 163238490
(E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxyoct-6-enal
CID 163238504
(E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-(2-trimethylsilylethoxymethoxy)oct-6-enal
CID 11258971
(3R,5S,6S)-5-methoxy-6-(methoxymethoxy)-3-triethylsilyloxyoct-7-enal
CID 11348569
(3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methylhept-6-enal
CID 71732317
(3S,5R)-5-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-(methoxymethoxy)oct-7-enal
CID 102385543

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-(methoxymethoxy)oct-7-enal?
The IUPAC name of (3S,5S)-5-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-(methoxymethoxy)oct-7-enal (CID 11518445) is (3S,5S)-5-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-(methoxymethoxy)oct-7-enal.
What is the SMILES notation for (3S,5S)-5-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-(methoxymethoxy)oct-7-enal?
The canonical SMILES for (3S,5S)-5-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-(methoxymethoxy)oct-7-enal is C=CC[C@@H](C[C@@H](CC=O)OCOC)O[C@H](C=C)C(C)(C)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3S,5S)-5-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-(methoxymethoxy)oct-7-enal?
The InChIKey is WYBDFRNRXCUXRU-DSNGMDLFSA-N. The full InChI is InChI=1S/C26H50O5Si/c1-12-14-24(17-23(15-16-27)29-19-28-11)31-25(13-2)26(9,10)18-30-32(20(3)4,21(5)6)22(7)8/h12-13,16,20-25H,1-2,14-15,17-19H2,3-11H3/t23-,24+,25-/m1/s1.
What are the key properties of (3S,5S)-5-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-(methoxymethoxy)oct-7-enal?
(3S,5S)-5-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-(methoxymethoxy)oct-7-enal has a molecular weight of 470.77 g/mol, XLogP of 6.69, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-(methoxymethoxy)oct-7-enal is sourced from PubChem (CID 11518445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).