(4S)-4-propan-2-yl-3-[(Z)-1-tributylstannyloct-1-enyl]-1,3-oxazolidin-2-one

C26H51NO2Sn — CID 177489042

IUPAC(4S)-4-propan-2-yl-3-[(Z)-1-tributylstannyloct-1-enyl]-1,3-oxazolidin-2-one
SMILESCCCCCC/C=C(/N1C(=O)OC[C@@H]1C(C)C)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C14H24NO2.3C4H9.Sn/c1-4-5-6-7-8-9-10-15-13(12(2)3)11-17-14(15)16;3*1-3-4-2;/h9,12-13H,4-8,11H2,1-3H3;3*1,3-4H2,2H3;/t13-;;;;/m1..../s1
InChIKeyDZNGBKAKXDSHTB-SVZPRBGCSA-N
MW528.41 g/mol
LogP8.71
Rot. Bonds17

About (4S)-4-propan-2-yl-3-[(Z)-1-tributylstannyloct-1-enyl]-1,3-oxazolidin-2-one

(4S)-4-propan-2-yl-3-[(Z)-1-tributylstannyloct-1-enyl]-1,3-oxazolidin-2-one (PubChem CID 177489042) has the molecular formula C26H51NO2Sn and a molecular weight of 528.41 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-3-[(Z)-1-tributylstannyloct-1-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-3-[(Z)-1-tributylstannyloct-1-enyl]-1,3-oxazolidin-2-one
PubChem CID177489042
Molecular FormulaC26H51NO2Sn
Molecular Weight528.41 g/mol
Exact Mass529.29
IUPAC Name(4S)-4-propan-2-yl-3-[(Z)-1-tributylstannyloct-1-enyl]-1,3-oxazolidin-2-one
SMILESCCCCCC/C=C(/N1C(=O)OC[C@@H]1C(C)C)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C14H24NO2.3C4H9.Sn/c1-4-5-6-7-8-9-10-15-13(12(2)3)11-17-14(15)16;3*1-3-4-2;/h9,12-13H,4-8,11H2,1-3H3;3*1,3-4H2,2H3;/t13-;;;;/m1..../s1
InChIKeyDZNGBKAKXDSHTB-SVZPRBGCSA-N
XLogP8.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.41
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-3-[(Z)-1-tributylstannyloct-1-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-propan-2-yl-3-[(Z)-1-tributylstannyloct-1-enyl]-1,3-oxazolidin-2-one (CID 177489042) is (4S)-4-propan-2-yl-3-[(Z)-1-tributylstannyloct-1-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-propan-2-yl-3-[(Z)-1-tributylstannyloct-1-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-propan-2-yl-3-[(Z)-1-tributylstannyloct-1-enyl]-1,3-oxazolidin-2-one is CCCCCC/C=C(/N1C(=O)OC[C@@H]1C(C)C)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of (4S)-4-propan-2-yl-3-[(Z)-1-tributylstannyloct-1-enyl]-1,3-oxazolidin-2-one?
The InChIKey is DZNGBKAKXDSHTB-SVZPRBGCSA-N. The full InChI is InChI=1S/C14H24NO2.3C4H9.Sn/c1-4-5-6-7-8-9-10-15-13(12(2)3)11-17-14(15)16;3*1-3-4-2;/h9,12-13H,4-8,11H2,1-3H3;3*1,3-4H2,2H3;/t13-;;;;/m1..../s1.
What are the key properties of (4S)-4-propan-2-yl-3-[(Z)-1-tributylstannyloct-1-enyl]-1,3-oxazolidin-2-one?
(4S)-4-propan-2-yl-3-[(Z)-1-tributylstannyloct-1-enyl]-1,3-oxazolidin-2-one has a molecular weight of 528.41 g/mol, XLogP of 8.71, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-3-[(Z)-1-tributylstannyloct-1-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 177489042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).