[2-(4-chloro-3-phenylbutyl)oxan-2-yl]silane

C15H23ClOSi — CID 123767721

IUPAC[2-(4-chloro-3-phenylbutyl)oxan-2-yl]silane
SMILES[SiH3]C1(CCC(CCl)c2ccccc2)CCCCO1
InChIInChI=1S/C15H23ClOSi/c16-12-14(13-6-2-1-3-7-13)8-10-15(18)9-4-5-11-17-15/h1-3,6-7,14H,4-5,8-12H2,18H3
InChIKeyGTVULHYIRPKKTP-UHFFFAOYSA-N
MW282.89 g/mol
LogP3.05
Rot. Bonds5

About [2-(4-chloro-3-phenylbutyl)oxan-2-yl]silane

[2-(4-chloro-3-phenylbutyl)oxan-2-yl]silane (PubChem CID 123767721) has the molecular formula C15H23ClOSi and a molecular weight of 282.89 g/mol. Its IUPAC name is [2-(4-chloro-3-phenylbutyl)oxan-2-yl]silane.

Molecular Properties

Compound Name[2-(4-chloro-3-phenylbutyl)oxan-2-yl]silane
PubChem CID123767721
Molecular FormulaC15H23ClOSi
Molecular Weight282.89 g/mol
Exact Mass282.12
IUPAC Name[2-(4-chloro-3-phenylbutyl)oxan-2-yl]silane
SMILES[SiH3]C1(CCC(CCl)c2ccccc2)CCCCO1
InChIInChI=1S/C15H23ClOSi/c16-12-14(13-6-2-1-3-7-13)8-10-15(18)9-4-5-11-17-15/h1-3,6-7,14H,4-5,8-12H2,18H3
InChIKeyGTVULHYIRPKKTP-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.89
LogP ≤ 53.05
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'}

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-3-phenylbutyl)oxan-2-yl]silane?
The IUPAC name of [2-(4-chloro-3-phenylbutyl)oxan-2-yl]silane (CID 123767721) is [2-(4-chloro-3-phenylbutyl)oxan-2-yl]silane.
What is the SMILES notation for [2-(4-chloro-3-phenylbutyl)oxan-2-yl]silane?
The canonical SMILES for [2-(4-chloro-3-phenylbutyl)oxan-2-yl]silane is [SiH3]C1(CCC(CCl)c2ccccc2)CCCCO1.
What is the InChIKey of [2-(4-chloro-3-phenylbutyl)oxan-2-yl]silane?
The InChIKey is GTVULHYIRPKKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClOSi/c16-12-14(13-6-2-1-3-7-13)8-10-15(18)9-4-5-11-17-15/h1-3,6-7,14H,4-5,8-12H2,18H3.
What are the key properties of [2-(4-chloro-3-phenylbutyl)oxan-2-yl]silane?
[2-(4-chloro-3-phenylbutyl)oxan-2-yl]silane has a molecular weight of 282.89 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-3-phenylbutyl)oxan-2-yl]silane is sourced from PubChem (CID 123767721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).