[(E,2S,3R)-7-iodo-2-(methoxymethoxy)-3-methylhept-6-enoxy]-tri(propan-2-yl)silane

C19H39IO3Si — CID 90274719

IUPAC[(E,2S,3R)-7-iodo-2-(methoxymethoxy)-3-methylhept-6-enoxy]-tri(propan-2-yl)silane
SMILESCOCO[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)CC/C=C/I
InChIInChI=1S/C19H39IO3Si/c1-15(2)24(16(3)4,17(5)6)23-13-19(22-14-21-8)18(7)11-9-10-12-20/h10,12,15-19H,9,11,13-14H2,1-8H3/b12-10+/t18-,19-/m1/s1
InChIKeyYQSJOSZUXNKUIW-KZSBCKHLSA-N
MW470.51 g/mol
LogP6.53
Rot. Bonds13

About [(E,2S,3R)-7-iodo-2-(methoxymethoxy)-3-methylhept-6-enoxy]-tri(propan-2-yl)silane

[(E,2S,3R)-7-iodo-2-(methoxymethoxy)-3-methylhept-6-enoxy]-tri(propan-2-yl)silane (PubChem CID 90274719) has the molecular formula C19H39IO3Si and a molecular weight of 470.51 g/mol. Its IUPAC name is [(E,2S,3R)-7-iodo-2-(methoxymethoxy)-3-methylhept-6-enoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E,2S,3R)-7-iodo-2-(methoxymethoxy)-3-methylhept-6-enoxy]-tri(propan-2-yl)silane
PubChem CID90274719
Molecular FormulaC19H39IO3Si
Molecular Weight470.51 g/mol
Exact Mass470.17
IUPAC Name[(E,2S,3R)-7-iodo-2-(methoxymethoxy)-3-methylhept-6-enoxy]-tri(propan-2-yl)silane
SMILESCOCO[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)CC/C=C/I
InChIInChI=1S/C19H39IO3Si/c1-15(2)24(16(3)4,17(5)6)23-13-19(22-14-21-8)18(7)11-9-10-12-20/h10,12,15-19H,9,11,13-14H2,1-8H3/b12-10+/t18-,19-/m1/s1
InChIKeyYQSJOSZUXNKUIW-KZSBCKHLSA-N
XLogP6.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.51
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E,2S,3R)-7-iodo-2-(methoxymethoxy)-3-methylhept-6-enoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(E,2S,3R)-7-iodo-2-(methoxymethoxy)-3-methylhept-6-enoxy]-tri(propan-2-yl)silane (CID 90274719) is [(E,2S,3R)-7-iodo-2-(methoxymethoxy)-3-methylhept-6-enoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(E,2S,3R)-7-iodo-2-(methoxymethoxy)-3-methylhept-6-enoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(E,2S,3R)-7-iodo-2-(methoxymethoxy)-3-methylhept-6-enoxy]-tri(propan-2-yl)silane is COCO[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)CC/C=C/I.
What is the InChIKey of [(E,2S,3R)-7-iodo-2-(methoxymethoxy)-3-methylhept-6-enoxy]-tri(propan-2-yl)silane?
The InChIKey is YQSJOSZUXNKUIW-KZSBCKHLSA-N. The full InChI is InChI=1S/C19H39IO3Si/c1-15(2)24(16(3)4,17(5)6)23-13-19(22-14-21-8)18(7)11-9-10-12-20/h10,12,15-19H,9,11,13-14H2,1-8H3/b12-10+/t18-,19-/m1/s1.
What are the key properties of [(E,2S,3R)-7-iodo-2-(methoxymethoxy)-3-methylhept-6-enoxy]-tri(propan-2-yl)silane?
[(E,2S,3R)-7-iodo-2-(methoxymethoxy)-3-methylhept-6-enoxy]-tri(propan-2-yl)silane has a molecular weight of 470.51 g/mol, XLogP of 6.53, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2S,3R)-7-iodo-2-(methoxymethoxy)-3-methylhept-6-enoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 90274719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).