[(2R,3S,5R)-5-(iodomethyl)-2-methyloxolan-3-yl]oxy-tri(propan-2-yl)silane

C15H31IO2Si — CID 11090610

IUPAC[(2R,3S,5R)-5-(iodomethyl)-2-methyloxolan-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@H]1C[C@H](CI)O[C@@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C15H31IO2Si/c1-10(2)19(11(3)4,12(5)6)18-15-8-14(9-16)17-13(15)7/h10-15H,8-9H2,1-7H3/t13-,14-,15+/m1/s1
InChIKeyPWYHWDYTGWYURQ-KFWWJZLASA-N
MW398.40 g/mol
LogP5.16
Rot. Bonds6

About [(2R,3S,5R)-5-(iodomethyl)-2-methyloxolan-3-yl]oxy-tri(propan-2-yl)silane

[(2R,3S,5R)-5-(iodomethyl)-2-methyloxolan-3-yl]oxy-tri(propan-2-yl)silane (PubChem CID 11090610) has the molecular formula C15H31IO2Si and a molecular weight of 398.40 g/mol. Its IUPAC name is [(2R,3S,5R)-5-(iodomethyl)-2-methyloxolan-3-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2R,3S,5R)-5-(iodomethyl)-2-methyloxolan-3-yl]oxy-tri(propan-2-yl)silane
PubChem CID11090610
Molecular FormulaC15H31IO2Si
Molecular Weight398.40 g/mol
Exact Mass398.11
IUPAC Name[(2R,3S,5R)-5-(iodomethyl)-2-methyloxolan-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@H]1C[C@H](CI)O[C@@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C15H31IO2Si/c1-10(2)19(11(3)4,12(5)6)18-15-8-14(9-16)17-13(15)7/h10-15H,8-9H2,1-7H3/t13-,14-,15+/m1/s1
InChIKeyPWYHWDYTGWYURQ-KFWWJZLASA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.40
LogP ≤ 55.16
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'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-5-(iodomethyl)-2-methyloxolan-3-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(2R,3S,5R)-5-(iodomethyl)-2-methyloxolan-3-yl]oxy-tri(propan-2-yl)silane (CID 11090610) is [(2R,3S,5R)-5-(iodomethyl)-2-methyloxolan-3-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2R,3S,5R)-5-(iodomethyl)-2-methyloxolan-3-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2R,3S,5R)-5-(iodomethyl)-2-methyloxolan-3-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](O[C@H]1C[C@H](CI)O[C@@H]1C)(C(C)C)C(C)C.
What is the InChIKey of [(2R,3S,5R)-5-(iodomethyl)-2-methyloxolan-3-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is PWYHWDYTGWYURQ-KFWWJZLASA-N. The full InChI is InChI=1S/C15H31IO2Si/c1-10(2)19(11(3)4,12(5)6)18-15-8-14(9-16)17-13(15)7/h10-15H,8-9H2,1-7H3/t13-,14-,15+/m1/s1.
What are the key properties of [(2R,3S,5R)-5-(iodomethyl)-2-methyloxolan-3-yl]oxy-tri(propan-2-yl)silane?
[(2R,3S,5R)-5-(iodomethyl)-2-methyloxolan-3-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 398.40 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5R)-5-(iodomethyl)-2-methyloxolan-3-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11090610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).