[2-(3-chloro-2-phenylpropyl)oxan-2-yl]-methylsilane

C15H23ClOSi — CID 174991551

IUPAC[2-(3-chloro-2-phenylpropyl)oxan-2-yl]-methylsilane
SMILESC[SiH2]C1(CC(CCl)c2ccccc2)CCCCO1
InChIInChI=1S/C15H23ClOSi/c1-18-15(9-5-6-10-17-15)11-14(12-16)13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12,18H2,1H3
InChIKeyGRMWCJASTRJCAW-UHFFFAOYSA-N
MW282.89 g/mol
LogP3.51
Rot. Bonds5

About [2-(3-chloro-2-phenylpropyl)oxan-2-yl]-methylsilane

[2-(3-chloro-2-phenylpropyl)oxan-2-yl]-methylsilane (PubChem CID 174991551) has the molecular formula C15H23ClOSi and a molecular weight of 282.89 g/mol. Its IUPAC name is [2-(3-chloro-2-phenylpropyl)oxan-2-yl]-methylsilane.

Molecular Properties

Compound Name[2-(3-chloro-2-phenylpropyl)oxan-2-yl]-methylsilane
PubChem CID174991551
Molecular FormulaC15H23ClOSi
Molecular Weight282.89 g/mol
Exact Mass282.12
IUPAC Name[2-(3-chloro-2-phenylpropyl)oxan-2-yl]-methylsilane
SMILESC[SiH2]C1(CC(CCl)c2ccccc2)CCCCO1
InChIInChI=1S/C15H23ClOSi/c1-18-15(9-5-6-10-17-15)11-14(12-16)13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12,18H2,1H3
InChIKeyGRMWCJASTRJCAW-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
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-(3-chloro-2-phenylpropyl)oxan-2-yl]-methylsilane?
The IUPAC name of [2-(3-chloro-2-phenylpropyl)oxan-2-yl]-methylsilane (CID 174991551) is [2-(3-chloro-2-phenylpropyl)oxan-2-yl]-methylsilane.
What is the SMILES notation for [2-(3-chloro-2-phenylpropyl)oxan-2-yl]-methylsilane?
The canonical SMILES for [2-(3-chloro-2-phenylpropyl)oxan-2-yl]-methylsilane is C[SiH2]C1(CC(CCl)c2ccccc2)CCCCO1.
What is the InChIKey of [2-(3-chloro-2-phenylpropyl)oxan-2-yl]-methylsilane?
The InChIKey is GRMWCJASTRJCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClOSi/c1-18-15(9-5-6-10-17-15)11-14(12-16)13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12,18H2,1H3.
What are the key properties of [2-(3-chloro-2-phenylpropyl)oxan-2-yl]-methylsilane?
[2-(3-chloro-2-phenylpropyl)oxan-2-yl]-methylsilane has a molecular weight of 282.89 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-2-phenylpropyl)oxan-2-yl]-methylsilane is sourced from PubChem (CID 174991551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).