[(E,2S)-1-[(2S,5S,6S)-6-(iodomethyl)-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-tri(propan-2-yl)silane

C24H47IO2Si — CID 11409855

IUPAC[(E,2S)-1-[(2S,5S,6S)-6-(iodomethyl)-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)C/C=C/[C@H](C[C@@H]1CC[C@H](C)[C@@H](CI)O1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H47IO2Si/c1-17(2)11-10-12-23(15-22-14-13-21(9)24(16-25)26-22)27-28(18(3)4,19(5)6)20(7)8/h10,12,17-24H,11,13-16H2,1-9H3/b12-10+/t21-,22-,23+,24+/m0/s1
InChIKeyVRVGDKGRHNKPCK-GRIOZMCCSA-N
MW522.63 g/mol
LogP8.16
Rot. Bonds11

About [(E,2S)-1-[(2S,5S,6S)-6-(iodomethyl)-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-tri(propan-2-yl)silane

[(E,2S)-1-[(2S,5S,6S)-6-(iodomethyl)-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-tri(propan-2-yl)silane (PubChem CID 11409855) has the molecular formula C24H47IO2Si and a molecular weight of 522.63 g/mol. Its IUPAC name is [(E,2S)-1-[(2S,5S,6S)-6-(iodomethyl)-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E,2S)-1-[(2S,5S,6S)-6-(iodomethyl)-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-tri(propan-2-yl)silane
PubChem CID11409855
Molecular FormulaC24H47IO2Si
Molecular Weight522.63 g/mol
Exact Mass522.24
IUPAC Name[(E,2S)-1-[(2S,5S,6S)-6-(iodomethyl)-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)C/C=C/[C@H](C[C@@H]1CC[C@H](C)[C@@H](CI)O1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H47IO2Si/c1-17(2)11-10-12-23(15-22-14-13-21(9)24(16-25)26-22)27-28(18(3)4,19(5)6)20(7)8/h10,12,17-24H,11,13-16H2,1-9H3/b12-10+/t21-,22-,23+,24+/m0/s1
InChIKeyVRVGDKGRHNKPCK-GRIOZMCCSA-N
XLogP8.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.63
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E,2S)-1-[(2S,5S,6S)-6-(iodomethyl)-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(E,2S)-1-[(2S,5S,6S)-6-(iodomethyl)-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-tri(propan-2-yl)silane (CID 11409855) is [(E,2S)-1-[(2S,5S,6S)-6-(iodomethyl)-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(E,2S)-1-[(2S,5S,6S)-6-(iodomethyl)-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(E,2S)-1-[(2S,5S,6S)-6-(iodomethyl)-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-tri(propan-2-yl)silane is CC(C)C/C=C/[C@H](C[C@@H]1CC[C@H](C)[C@@H](CI)O1)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(E,2S)-1-[(2S,5S,6S)-6-(iodomethyl)-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is VRVGDKGRHNKPCK-GRIOZMCCSA-N. The full InChI is InChI=1S/C24H47IO2Si/c1-17(2)11-10-12-23(15-22-14-13-21(9)24(16-25)26-22)27-28(18(3)4,19(5)6)20(7)8/h10,12,17-24H,11,13-16H2,1-9H3/b12-10+/t21-,22-,23+,24+/m0/s1.
What are the key properties of [(E,2S)-1-[(2S,5S,6S)-6-(iodomethyl)-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-tri(propan-2-yl)silane?
[(E,2S)-1-[(2S,5S,6S)-6-(iodomethyl)-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 522.63 g/mol, XLogP of 8.16, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2S)-1-[(2S,5S,6S)-6-(iodomethyl)-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11409855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).