(3S,4S,5R)-3-hydroxy-5-octyl-4-(1-trimethylstannylethenyl)oxolan-2-one

C17H32O3Sn — CID 134939350

IUPAC(3S,4S,5R)-3-hydroxy-5-octyl-4-(1-trimethylstannylethenyl)oxolan-2-one
SMILESC=C([C@H]1[C@H](O)C(=O)O[C@@H]1CCCCCCCC)[Sn](C)(C)C
InChIInChI=1S/C14H23O3.3CH3.Sn/c1-3-5-6-7-8-9-10-12-11(4-2)13(15)14(16)17-12;;;;/h11-13,15H,2-3,5-10H2,1H3;3*1H3;/t11-,12-,13+;;;;/m1..../s1
InChIKeyAXCGNDIAFRGCKR-VGDBHEHJSA-N
MW403.15 g/mol
LogP4.07
Rot. Bonds9

About (3S,4S,5R)-3-hydroxy-5-octyl-4-(1-trimethylstannylethenyl)oxolan-2-one

(3S,4S,5R)-3-hydroxy-5-octyl-4-(1-trimethylstannylethenyl)oxolan-2-one (PubChem CID 134939350) has the molecular formula C17H32O3Sn and a molecular weight of 403.15 g/mol. Its IUPAC name is (3S,4S,5R)-3-hydroxy-5-octyl-4-(1-trimethylstannylethenyl)oxolan-2-one.

Molecular Properties

Compound Name(3S,4S,5R)-3-hydroxy-5-octyl-4-(1-trimethylstannylethenyl)oxolan-2-one
PubChem CID134939350
Molecular FormulaC17H32O3Sn
Molecular Weight403.15 g/mol
Exact Mass404.14
IUPAC Name(3S,4S,5R)-3-hydroxy-5-octyl-4-(1-trimethylstannylethenyl)oxolan-2-one
SMILESC=C([C@H]1[C@H](O)C(=O)O[C@@H]1CCCCCCCC)[Sn](C)(C)C
InChIInChI=1S/C14H23O3.3CH3.Sn/c1-3-5-6-7-8-9-10-12-11(4-2)13(15)14(16)17-12;;;;/h11-13,15H,2-3,5-10H2,1H3;3*1H3;/t11-,12-,13+;;;;/m1..../s1
InChIKeyAXCGNDIAFRGCKR-VGDBHEHJSA-N
XLogP4.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.15
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (3S,4S,5R)-3-hydroxy-5-octyl-4-(1-trimethylstannylethenyl)oxolan-2-one?
The IUPAC name of (3S,4S,5R)-3-hydroxy-5-octyl-4-(1-trimethylstannylethenyl)oxolan-2-one (CID 134939350) is (3S,4S,5R)-3-hydroxy-5-octyl-4-(1-trimethylstannylethenyl)oxolan-2-one.
What is the SMILES notation for (3S,4S,5R)-3-hydroxy-5-octyl-4-(1-trimethylstannylethenyl)oxolan-2-one?
The canonical SMILES for (3S,4S,5R)-3-hydroxy-5-octyl-4-(1-trimethylstannylethenyl)oxolan-2-one is C=C([C@H]1[C@H](O)C(=O)O[C@@H]1CCCCCCCC)[Sn](C)(C)C.
What is the InChIKey of (3S,4S,5R)-3-hydroxy-5-octyl-4-(1-trimethylstannylethenyl)oxolan-2-one?
The InChIKey is AXCGNDIAFRGCKR-VGDBHEHJSA-N. The full InChI is InChI=1S/C14H23O3.3CH3.Sn/c1-3-5-6-7-8-9-10-12-11(4-2)13(15)14(16)17-12;;;;/h11-13,15H,2-3,5-10H2,1H3;3*1H3;/t11-,12-,13+;;;;/m1..../s1.
What are the key properties of (3S,4S,5R)-3-hydroxy-5-octyl-4-(1-trimethylstannylethenyl)oxolan-2-one?
(3S,4S,5R)-3-hydroxy-5-octyl-4-(1-trimethylstannylethenyl)oxolan-2-one has a molecular weight of 403.15 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-3-hydroxy-5-octyl-4-(1-trimethylstannylethenyl)oxolan-2-one is sourced from PubChem (CID 134939350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).