5-butylnonan-5-yl-[4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl]tin

C28H47NO4Sn — CID 141038225

About 5-butylnonan-5-yl-[4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl]tin

5-butylnonan-5-yl-[4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl]tin (PubChem CID 141038225) has the molecular formula C28H47NO4Sn and a molecular weight of 580.40 g/mol. Its IUPAC name is 5-butylnonan-5-yl-[4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl]tin.

Molecular Properties

• Compound Name: 5-butylnonan-5-yl-[4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl]tin
• PubChem CID: 141038225
• Molecular Formula: C28H47NO4Sn
• Molecular Weight: 580.40 g/mol
• Exact Mass: 581.25
• IUPAC Name: 5-butylnonan-5-yl-[4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl]tin
• SMILES: CCCCC(CCCC)(CCCC)[Sn]c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OC)cc1
• InChI: InChI=1S/C15H20NO4.C13H27.Sn/c1-15(2,3)20-14(18)16-12(13(17)19-4)10-11-8-6-5-7-9-11;1-4-7-10-13(11-8-5-2)12-9-6-3;/h6-9,12H,10H2,1-4H3,(H,16,18);4-12H2,1-3H3;/t12-;;/m0../s1
• InChIKey: QXXCTJNDBLCHKR-LTCKWSDVSA-N
• XLogP: 6.35
• TPSA: 64.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.40
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-butylnonan-5-yl-[4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl]tin?

The IUPAC name of 5-butylnonan-5-yl-[4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl]tin (CID 141038225) is 5-butylnonan-5-yl-[4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl]tin.

What is the SMILES notation for 5-butylnonan-5-yl-[4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl]tin?

The canonical SMILES for 5-butylnonan-5-yl-[4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl]tin is CCCCC(CCCC)(CCCC)[Sn]c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OC)cc1.

What is the InChIKey of 5-butylnonan-5-yl-[4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl]tin?

The InChIKey is QXXCTJNDBLCHKR-LTCKWSDVSA-N. The full InChI is InChI=1S/C15H20NO4.C13H27.Sn/c1-15(2,3)20-14(18)16-12(13(17)19-4)10-11-8-6-5-7-9-11;1-4-7-10-13(11-8-5-2)12-9-6-3;/h6-9,12H,10H2,1-4H3,(H,16,18);4-12H2,1-3H3;/t12-;;/m0../s1.

What are the key properties of 5-butylnonan-5-yl-[4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl]tin?

5-butylnonan-5-yl-[4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl]tin has a molecular weight of 580.40 g/mol, XLogP of 6.35, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-butylnonan-5-yl-[4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl]tin is sourced from PubChem (CID 141038225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).