1-bromonon-1-yn-3-yloxy-tri(propan-2-yl)silane

C18H35BrOSi — CID 71662309

IUPAC1-bromonon-1-yn-3-yloxy-tri(propan-2-yl)silane
SMILESCCCCCCC(C#CBr)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H35BrOSi/c1-8-9-10-11-12-18(13-14-19)20-21(15(2)3,16(4)5)17(6)7/h15-18H,8-12H2,1-7H3
InChIKeyPFASWODHXQMHSQ-UHFFFAOYSA-N
MW375.47 g/mol
LogP6.87
Rot. Bonds10

About 1-bromonon-1-yn-3-yloxy-tri(propan-2-yl)silane

1-bromonon-1-yn-3-yloxy-tri(propan-2-yl)silane (PubChem CID 71662309) has the molecular formula C18H35BrOSi and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-bromonon-1-yn-3-yloxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name1-bromonon-1-yn-3-yloxy-tri(propan-2-yl)silane
PubChem CID71662309
Molecular FormulaC18H35BrOSi
Molecular Weight375.47 g/mol
Exact Mass374.16
IUPAC Name1-bromonon-1-yn-3-yloxy-tri(propan-2-yl)silane
SMILESCCCCCCC(C#CBr)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H35BrOSi/c1-8-9-10-11-12-18(13-14-19)20-21(15(2)3,16(4)5)17(6)7/h15-18H,8-12H2,1-7H3
InChIKeyPFASWODHXQMHSQ-UHFFFAOYSA-N
XLogP6.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(3R)-3-tri(propan-2-yl)silyloxyhexadecanal
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tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
decane;dodecane-1,1-diol
CID 162011285
heptane-1,1-diol;hexane-1,1-diol
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CID 18004105
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CID 172691644
CID 172691644

Frequently Asked Questions

What is the IUPAC name of 1-bromonon-1-yn-3-yloxy-tri(propan-2-yl)silane?
The IUPAC name of 1-bromonon-1-yn-3-yloxy-tri(propan-2-yl)silane (CID 71662309) is 1-bromonon-1-yn-3-yloxy-tri(propan-2-yl)silane.
What is the SMILES notation for 1-bromonon-1-yn-3-yloxy-tri(propan-2-yl)silane?
The canonical SMILES for 1-bromonon-1-yn-3-yloxy-tri(propan-2-yl)silane is CCCCCCC(C#CBr)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 1-bromonon-1-yn-3-yloxy-tri(propan-2-yl)silane?
The InChIKey is PFASWODHXQMHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35BrOSi/c1-8-9-10-11-12-18(13-14-19)20-21(15(2)3,16(4)5)17(6)7/h15-18H,8-12H2,1-7H3.
What are the key properties of 1-bromonon-1-yn-3-yloxy-tri(propan-2-yl)silane?
1-bromonon-1-yn-3-yloxy-tri(propan-2-yl)silane has a molecular weight of 375.47 g/mol, XLogP of 6.87, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromonon-1-yn-3-yloxy-tri(propan-2-yl)silane is sourced from PubChem (CID 71662309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).