(E,3R,4R)-6-iodo-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol

C17H35IO2Si — CID 10093956

IUPAC(E,3R,4R)-6-iodo-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol
SMILESCC[C@@H](O)[C@H](/C=C(\C)I)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H35IO2Si/c1-9-17(19)16(10-15(8)18)11-20-21(12(2)3,13(4)5)14(6)7/h10,12-14,16-17,19H,9,11H2,1-8H3/b15-10+/t16-,17-/m1/s1
InChIKeyQUZPZLYNQBYGNV-QYHCQRMFSA-N
MW426.46 g/mol
LogP5.90
Rot. Bonds9

About (E,3R,4R)-6-iodo-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol

(E,3R,4R)-6-iodo-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol (PubChem CID 10093956) has the molecular formula C17H35IO2Si and a molecular weight of 426.46 g/mol. Its IUPAC name is (E,3R,4R)-6-iodo-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol.

Molecular Properties

Compound Name(E,3R,4R)-6-iodo-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol
PubChem CID10093956
Molecular FormulaC17H35IO2Si
Molecular Weight426.46 g/mol
Exact Mass426.15
IUPAC Name(E,3R,4R)-6-iodo-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol
SMILESCC[C@@H](O)[C@H](/C=C(\C)I)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H35IO2Si/c1-9-17(19)16(10-15(8)18)11-20-21(12(2)3,13(4)5)14(6)7/h10,12-14,16-17,19H,9,11H2,1-8H3/b15-10+/t16-,17-/m1/s1
InChIKeyQUZPZLYNQBYGNV-QYHCQRMFSA-N
XLogP5.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.46
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,3R,4R)-6-iodo-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol?
The IUPAC name of (E,3R,4R)-6-iodo-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol (CID 10093956) is (E,3R,4R)-6-iodo-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol.
What is the SMILES notation for (E,3R,4R)-6-iodo-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol?
The canonical SMILES for (E,3R,4R)-6-iodo-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol is CC[C@@H](O)[C@H](/C=C(\C)I)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E,3R,4R)-6-iodo-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol?
The InChIKey is QUZPZLYNQBYGNV-QYHCQRMFSA-N. The full InChI is InChI=1S/C17H35IO2Si/c1-9-17(19)16(10-15(8)18)11-20-21(12(2)3,13(4)5)14(6)7/h10,12-14,16-17,19H,9,11H2,1-8H3/b15-10+/t16-,17-/m1/s1.
What are the key properties of (E,3R,4R)-6-iodo-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol?
(E,3R,4R)-6-iodo-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol has a molecular weight of 426.46 g/mol, XLogP of 5.90, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R,4R)-6-iodo-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol is sourced from PubChem (CID 10093956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).