propan-2-yl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate

C19H38O3Si — CID 11067853

IUPACpropan-2-yl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate
SMILESCC[Si](CC)(CC)O[C@H](CC=C(C)C)[C@@H](C)CC(=O)OC(C)C
InChIInChI=1S/C19H38O3Si/c1-9-23(10-2,11-3)22-18(13-12-15(4)5)17(8)14-19(20)21-16(6)7/h12,16-18H,9-11,13-14H2,1-8H3/t17-,18+/m0/s1
InChIKeyFVLMADDWHSNRSJ-ZWKOTPCHSA-N
MW342.60 g/mol
LogP5.71
Rot. Bonds11

About propan-2-yl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate

propan-2-yl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate (PubChem CID 11067853) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is propan-2-yl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate.

Molecular Properties

Compound Namepropan-2-yl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate
PubChem CID11067853
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Namepropan-2-yl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate
SMILESCC[Si](CC)(CC)O[C@H](CC=C(C)C)[C@@H](C)CC(=O)OC(C)C
InChIInChI=1S/C19H38O3Si/c1-9-23(10-2,11-3)22-18(13-12-15(4)5)17(8)14-19(20)21-16(6)7/h12,16-18H,9-11,13-14H2,1-8H3/t17-,18+/m0/s1
InChIKeyFVLMADDWHSNRSJ-ZWKOTPCHSA-N
XLogP5.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate?
The IUPAC name of propan-2-yl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate (CID 11067853) is propan-2-yl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate.
What is the SMILES notation for propan-2-yl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate?
The canonical SMILES for propan-2-yl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate is CC[Si](CC)(CC)O[C@H](CC=C(C)C)[C@@H](C)CC(=O)OC(C)C.
What is the InChIKey of propan-2-yl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate?
The InChIKey is FVLMADDWHSNRSJ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-9-23(10-2,11-3)22-18(13-12-15(4)5)17(8)14-19(20)21-16(6)7/h12,16-18H,9-11,13-14H2,1-8H3/t17-,18+/m0/s1.
What are the key properties of propan-2-yl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate?
propan-2-yl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate has a molecular weight of 342.60 g/mol, XLogP of 5.71, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate is sourced from PubChem (CID 11067853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).