[1-(benzenesulfonyl)-2-(oxan-4-yl)ethyl]-trimethylgermane

C16H26GeO3S — CID 170783673

IUPAC[1-(benzenesulfonyl)-2-(oxan-4-yl)ethyl]-trimethylgermane
SMILESC[Ge](C)(C)C(CC1CCOCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H26GeO3S/c1-17(2,3)16(13-14-9-11-20-12-10-14)21(18,19)15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3
InChIKeyKUPUEIOBKJFFND-UHFFFAOYSA-N
MW371.06 g/mol
LogP3.52
Rot. Bonds5

About [1-(benzenesulfonyl)-2-(oxan-4-yl)ethyl]-trimethylgermane

[1-(benzenesulfonyl)-2-(oxan-4-yl)ethyl]-trimethylgermane (PubChem CID 170783673) has the molecular formula C16H26GeO3S and a molecular weight of 371.06 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-2-(oxan-4-yl)ethyl]-trimethylgermane.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-2-(oxan-4-yl)ethyl]-trimethylgermane
PubChem CID170783673
Molecular FormulaC16H26GeO3S
Molecular Weight371.06 g/mol
Exact Mass372.08
IUPAC Name[1-(benzenesulfonyl)-2-(oxan-4-yl)ethyl]-trimethylgermane
SMILESC[Ge](C)(C)C(CC1CCOCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H26GeO3S/c1-17(2,3)16(13-14-9-11-20-12-10-14)21(18,19)15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3
InChIKeyKUPUEIOBKJFFND-UHFFFAOYSA-N
XLogP3.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.06
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-2-(oxan-4-yl)ethyl]-trimethylgermane?
The IUPAC name of [1-(benzenesulfonyl)-2-(oxan-4-yl)ethyl]-trimethylgermane (CID 170783673) is [1-(benzenesulfonyl)-2-(oxan-4-yl)ethyl]-trimethylgermane.
What is the SMILES notation for [1-(benzenesulfonyl)-2-(oxan-4-yl)ethyl]-trimethylgermane?
The canonical SMILES for [1-(benzenesulfonyl)-2-(oxan-4-yl)ethyl]-trimethylgermane is C[Ge](C)(C)C(CC1CCOCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [1-(benzenesulfonyl)-2-(oxan-4-yl)ethyl]-trimethylgermane?
The InChIKey is KUPUEIOBKJFFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26GeO3S/c1-17(2,3)16(13-14-9-11-20-12-10-14)21(18,19)15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3.
What are the key properties of [1-(benzenesulfonyl)-2-(oxan-4-yl)ethyl]-trimethylgermane?
[1-(benzenesulfonyl)-2-(oxan-4-yl)ethyl]-trimethylgermane has a molecular weight of 371.06 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-2-(oxan-4-yl)ethyl]-trimethylgermane is sourced from PubChem (CID 170783673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).