1-chlorobut-3-en-2-yloxy(dicyclohexyl)silane

C16H29ClOSi — CID 174438452

IUPAC1-chlorobut-3-en-2-yloxy(dicyclohexyl)silane
SMILESC=CC(CCl)O[SiH](C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H29ClOSi/c1-2-14(13-17)18-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2,14-16,19H,1,3-13H2
InChIKeyKDXSRGFDRANGKF-UHFFFAOYSA-N
MW300.95 g/mol
LogP5.19
Rot. Bonds6

About 1-chlorobut-3-en-2-yloxy(dicyclohexyl)silane

1-chlorobut-3-en-2-yloxy(dicyclohexyl)silane (PubChem CID 174438452) has the molecular formula C16H29ClOSi and a molecular weight of 300.95 g/mol. Its IUPAC name is 1-chlorobut-3-en-2-yloxy(dicyclohexyl)silane.

Molecular Properties

Compound Name1-chlorobut-3-en-2-yloxy(dicyclohexyl)silane
PubChem CID174438452
Molecular FormulaC16H29ClOSi
Molecular Weight300.95 g/mol
Exact Mass300.17
IUPAC Name1-chlorobut-3-en-2-yloxy(dicyclohexyl)silane
SMILESC=CC(CCl)O[SiH](C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H29ClOSi/c1-2-14(13-17)18-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2,14-16,19H,1,3-13H2
InChIKeyKDXSRGFDRANGKF-UHFFFAOYSA-N
XLogP5.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.95
LogP ≤ 55.19
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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ethenylcyclononane
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[(2R)-1-bromobut-3-en-2-yl]cyclohexane
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2-[2-[1-(oxolan-2-yl)but-3-en-2-yloxy]but-3-enyl]oxolane
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Frequently Asked Questions

What is the IUPAC name of 1-chlorobut-3-en-2-yloxy(dicyclohexyl)silane?
The IUPAC name of 1-chlorobut-3-en-2-yloxy(dicyclohexyl)silane (CID 174438452) is 1-chlorobut-3-en-2-yloxy(dicyclohexyl)silane.
What is the SMILES notation for 1-chlorobut-3-en-2-yloxy(dicyclohexyl)silane?
The canonical SMILES for 1-chlorobut-3-en-2-yloxy(dicyclohexyl)silane is C=CC(CCl)O[SiH](C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1-chlorobut-3-en-2-yloxy(dicyclohexyl)silane?
The InChIKey is KDXSRGFDRANGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29ClOSi/c1-2-14(13-17)18-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2,14-16,19H,1,3-13H2.
What are the key properties of 1-chlorobut-3-en-2-yloxy(dicyclohexyl)silane?
1-chlorobut-3-en-2-yloxy(dicyclohexyl)silane has a molecular weight of 300.95 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorobut-3-en-2-yloxy(dicyclohexyl)silane is sourced from PubChem (CID 174438452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).