[2-(cyclopentadecylmethyl)oxan-2-yl]silane

C21H42OSi — CID 175099799

IUPAC[2-(cyclopentadecylmethyl)oxan-2-yl]silane
SMILES[SiH3]C1(CC2CCCCCCCCCCCCCC2)CCCCO1
InChIInChI=1S/C21H42OSi/c23-21(17-13-14-18-22-21)19-20-15-11-9-7-5-3-1-2-4-6-8-10-12-16-20/h20H,1-19H2,23H3
InChIKeyNTRUXZUDZWILKU-UHFFFAOYSA-N
MW338.65 g/mol
LogP5.73
Rot. Bonds2

About [2-(cyclopentadecylmethyl)oxan-2-yl]silane

[2-(cyclopentadecylmethyl)oxan-2-yl]silane (PubChem CID 175099799) has the molecular formula C21H42OSi and a molecular weight of 338.65 g/mol. Its IUPAC name is [2-(cyclopentadecylmethyl)oxan-2-yl]silane.

Molecular Properties

Compound Name[2-(cyclopentadecylmethyl)oxan-2-yl]silane
PubChem CID175099799
Molecular FormulaC21H42OSi
Molecular Weight338.65 g/mol
Exact Mass338.30
IUPAC Name[2-(cyclopentadecylmethyl)oxan-2-yl]silane
SMILES[SiH3]C1(CC2CCCCCCCCCCCCCC2)CCCCO1
InChIInChI=1S/C21H42OSi/c23-21(17-13-14-18-22-21)19-20-15-11-9-7-5-3-1-2-4-6-8-10-12-16-20/h20H,1-19H2,23H3
InChIKeyNTRUXZUDZWILKU-UHFFFAOYSA-N
XLogP5.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.65
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentadecylmethyl)oxan-2-yl]silane?
The IUPAC name of [2-(cyclopentadecylmethyl)oxan-2-yl]silane (CID 175099799) is [2-(cyclopentadecylmethyl)oxan-2-yl]silane.
What is the SMILES notation for [2-(cyclopentadecylmethyl)oxan-2-yl]silane?
The canonical SMILES for [2-(cyclopentadecylmethyl)oxan-2-yl]silane is [SiH3]C1(CC2CCCCCCCCCCCCCC2)CCCCO1.
What is the InChIKey of [2-(cyclopentadecylmethyl)oxan-2-yl]silane?
The InChIKey is NTRUXZUDZWILKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42OSi/c23-21(17-13-14-18-22-21)19-20-15-11-9-7-5-3-1-2-4-6-8-10-12-16-20/h20H,1-19H2,23H3.
What are the key properties of [2-(cyclopentadecylmethyl)oxan-2-yl]silane?
[2-(cyclopentadecylmethyl)oxan-2-yl]silane has a molecular weight of 338.65 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentadecylmethyl)oxan-2-yl]silane is sourced from PubChem (CID 175099799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).