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

C14H29IOSi — CID 134934766

IUPAC[(2R,3S,5S)-5-iodo-2-methyloxolan-3-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)[C@H]1C[C@H](I)O[C@@H]1C
InChIInChI=1S/C14H29IOSi/c1-9(2)17(10(3)4,11(5)6)13-8-14(15)16-12(13)7/h9-14H,8H2,1-7H3/t12-,13+,14-/m1/s1
InChIKeyUAKHXAVXZFSFJV-HZSPNIEDSA-N
MW368.38 g/mol
LogP5.61
Rot. Bonds4

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

[(2R,3S,5S)-5-iodo-2-methyloxolan-3-yl]-tri(propan-2-yl)silane (PubChem CID 134934766) has the molecular formula C14H29IOSi and a molecular weight of 368.38 g/mol. Its IUPAC name is [(2R,3S,5S)-5-iodo-2-methyloxolan-3-yl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2R,3S,5S)-5-iodo-2-methyloxolan-3-yl]-tri(propan-2-yl)silane
PubChem CID134934766
Molecular FormulaC14H29IOSi
Molecular Weight368.38 g/mol
Exact Mass368.10
IUPAC Name[(2R,3S,5S)-5-iodo-2-methyloxolan-3-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)[C@H]1C[C@H](I)O[C@@H]1C
InChIInChI=1S/C14H29IOSi/c1-9(2)17(10(3)4,11(5)6)13-8-14(15)16-12(13)7/h9-14H,8H2,1-7H3/t12-,13+,14-/m1/s1
InChIKeyUAKHXAVXZFSFJV-HZSPNIEDSA-N
XLogP5.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.38
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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,5S)-5-iodo-2-methyloxolan-3-yl]-tri(propan-2-yl)silane?
The IUPAC name of [(2R,3S,5S)-5-iodo-2-methyloxolan-3-yl]-tri(propan-2-yl)silane (CID 134934766) is [(2R,3S,5S)-5-iodo-2-methyloxolan-3-yl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(2R,3S,5S)-5-iodo-2-methyloxolan-3-yl]-tri(propan-2-yl)silane?
The canonical SMILES for [(2R,3S,5S)-5-iodo-2-methyloxolan-3-yl]-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)[C@H]1C[C@H](I)O[C@@H]1C.
What is the InChIKey of [(2R,3S,5S)-5-iodo-2-methyloxolan-3-yl]-tri(propan-2-yl)silane?
The InChIKey is UAKHXAVXZFSFJV-HZSPNIEDSA-N. The full InChI is InChI=1S/C14H29IOSi/c1-9(2)17(10(3)4,11(5)6)13-8-14(15)16-12(13)7/h9-14H,8H2,1-7H3/t12-,13+,14-/m1/s1.
What are the key properties of [(2R,3S,5S)-5-iodo-2-methyloxolan-3-yl]-tri(propan-2-yl)silane?
[(2R,3S,5S)-5-iodo-2-methyloxolan-3-yl]-tri(propan-2-yl)silane has a molecular weight of 368.38 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5S)-5-iodo-2-methyloxolan-3-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 134934766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).