tributyl-[[(2R,4S)-4-phenyloxolan-2-yl]methyl]germane

C23H40GeO — CID 101215706

IUPACtributyl-[[(2R,4S)-4-phenyloxolan-2-yl]methyl]germane
SMILESCCCC[Ge](CCCC)(CCCC)C[C@H]1C[C@@H](c2ccccc2)CO1
InChIInChI=1S/C23H40GeO/c1-4-7-15-24(16-8-5-2,17-9-6-3)19-23-18-22(20-25-23)21-13-11-10-12-14-21/h10-14,22-23H,4-9,15-20H2,1-3H3/t22-,23-/m1/s1
InChIKeySTIXAISWWHBPEF-DHIUTWEWSA-N
MW405.18 g/mol
LogP7.41
Rot. Bonds12

About tributyl-[[(2R,4S)-4-phenyloxolan-2-yl]methyl]germane

tributyl-[[(2R,4S)-4-phenyloxolan-2-yl]methyl]germane (PubChem CID 101215706) has the molecular formula C23H40GeO and a molecular weight of 405.18 g/mol. Its IUPAC name is tributyl-[[(2R,4S)-4-phenyloxolan-2-yl]methyl]germane.

Molecular Properties

Compound Nametributyl-[[(2R,4S)-4-phenyloxolan-2-yl]methyl]germane
PubChem CID101215706
Molecular FormulaC23H40GeO
Molecular Weight405.18 g/mol
Exact Mass406.23
IUPAC Nametributyl-[[(2R,4S)-4-phenyloxolan-2-yl]methyl]germane
SMILESCCCC[Ge](CCCC)(CCCC)C[C@H]1C[C@@H](c2ccccc2)CO1
InChIInChI=1S/C23H40GeO/c1-4-7-15-24(16-8-5-2,17-9-6-3)19-23-18-22(20-25-23)21-13-11-10-12-14-21/h10-14,22-23H,4-9,15-20H2,1-3H3/t22-,23-/m1/s1
InChIKeySTIXAISWWHBPEF-DHIUTWEWSA-N
XLogP7.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.18
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(3R,5S)-5-hexyloxolan-3-yl]phenol
CID 139607830
(2R,4S)-2-methyl-4-phenyloxolane
CID 101336772
5-(4-butylphenyl)-2-phenyl-1,3-dioxane
CID 141451860
2-octyl-5-(4-phenylphenyl)oxane
CID 21247738
4-hexyl-2-phenyl-1,3-dioxolane
CID 13289082
2-octyl-4-phenylcyclohexan-1-ol
CID 63461451
1-[(2R,3S)-2-phenyloxetan-3-yl]hexan-1-ol
CID 15259342
5-(4-methylphenyl)-2-pentyloxane
CID 21248084
[(1R,2R)-2-hexylcyclopropyl]benzene
CID 100977396
(3-methylcyclopentyl)benzene;propane
CID 142973096
2-butyl-5-(4-propylphenyl)oxane
CID 21247595
5-(4-ethylphenyl)-2-pentyloxane
CID 21247840

Frequently Asked Questions

What is the IUPAC name of tributyl-[[(2R,4S)-4-phenyloxolan-2-yl]methyl]germane?
The IUPAC name of tributyl-[[(2R,4S)-4-phenyloxolan-2-yl]methyl]germane (CID 101215706) is tributyl-[[(2R,4S)-4-phenyloxolan-2-yl]methyl]germane.
What is the SMILES notation for tributyl-[[(2R,4S)-4-phenyloxolan-2-yl]methyl]germane?
The canonical SMILES for tributyl-[[(2R,4S)-4-phenyloxolan-2-yl]methyl]germane is CCCC[Ge](CCCC)(CCCC)C[C@H]1C[C@@H](c2ccccc2)CO1.
What is the InChIKey of tributyl-[[(2R,4S)-4-phenyloxolan-2-yl]methyl]germane?
The InChIKey is STIXAISWWHBPEF-DHIUTWEWSA-N. The full InChI is InChI=1S/C23H40GeO/c1-4-7-15-24(16-8-5-2,17-9-6-3)19-23-18-22(20-25-23)21-13-11-10-12-14-21/h10-14,22-23H,4-9,15-20H2,1-3H3/t22-,23-/m1/s1.
What are the key properties of tributyl-[[(2R,4S)-4-phenyloxolan-2-yl]methyl]germane?
tributyl-[[(2R,4S)-4-phenyloxolan-2-yl]methyl]germane has a molecular weight of 405.18 g/mol, XLogP of 7.41, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[[(2R,4S)-4-phenyloxolan-2-yl]methyl]germane is sourced from PubChem (CID 101215706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).