7-iodohept-4-en-3-yloxy-tri(propan-2-yl)silane

C16H33IOSi — CID 85379487

IUPAC7-iodohept-4-en-3-yloxy-tri(propan-2-yl)silane
SMILESCCC(C=CCCI)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H33IOSi/c1-8-16(11-9-10-12-17)18-19(13(2)3,14(4)5)15(6)7/h9,11,13-16H,8,10,12H2,1-7H3
InChIKeyUGBZXYIQWDPTQX-UHFFFAOYSA-N
MW396.43 g/mol
LogP6.34
Rot. Bonds9

About 7-iodohept-4-en-3-yloxy-tri(propan-2-yl)silane

7-iodohept-4-en-3-yloxy-tri(propan-2-yl)silane (PubChem CID 85379487) has the molecular formula C16H33IOSi and a molecular weight of 396.43 g/mol. Its IUPAC name is 7-iodohept-4-en-3-yloxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name7-iodohept-4-en-3-yloxy-tri(propan-2-yl)silane
PubChem CID85379487
Molecular FormulaC16H33IOSi
Molecular Weight396.43 g/mol
Exact Mass396.13
IUPAC Name7-iodohept-4-en-3-yloxy-tri(propan-2-yl)silane
SMILESCCC(C=CCCI)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H33IOSi/c1-8-16(11-9-10-12-17)18-19(13(2)3,14(4)5)15(6)7/h9,11,13-16H,8,10,12H2,1-7H3
InChIKeyUGBZXYIQWDPTQX-UHFFFAOYSA-N
XLogP6.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.43
LogP ≤ 56.34
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-iodohept-4-en-3-yloxy-tri(propan-2-yl)silane?
The IUPAC name of 7-iodohept-4-en-3-yloxy-tri(propan-2-yl)silane (CID 85379487) is 7-iodohept-4-en-3-yloxy-tri(propan-2-yl)silane.
What is the SMILES notation for 7-iodohept-4-en-3-yloxy-tri(propan-2-yl)silane?
The canonical SMILES for 7-iodohept-4-en-3-yloxy-tri(propan-2-yl)silane is CCC(C=CCCI)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 7-iodohept-4-en-3-yloxy-tri(propan-2-yl)silane?
The InChIKey is UGBZXYIQWDPTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33IOSi/c1-8-16(11-9-10-12-17)18-19(13(2)3,14(4)5)15(6)7/h9,11,13-16H,8,10,12H2,1-7H3.
What are the key properties of 7-iodohept-4-en-3-yloxy-tri(propan-2-yl)silane?
7-iodohept-4-en-3-yloxy-tri(propan-2-yl)silane has a molecular weight of 396.43 g/mol, XLogP of 6.34, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodohept-4-en-3-yloxy-tri(propan-2-yl)silane is sourced from PubChem (CID 85379487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).