propan-2-yl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate

C12H22O3Si — CID 45102885

IUPACpropan-2-yl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate
SMILESCC(C)OC(=O)C[C@@H](O)CC#C[Si](C)(C)C
InChIInChI=1S/C12H22O3Si/c1-10(2)15-12(14)9-11(13)7-6-8-16(3,4)5/h10-11,13H,7,9H2,1-5H3/t11-/m0/s1
InChIKeyZCHPDHZQFNCTIF-NSHDSACASA-N
MW242.39 g/mol
LogP1.96
Rot. Bonds4

About propan-2-yl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate

propan-2-yl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate (PubChem CID 45102885) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is propan-2-yl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate.

Molecular Properties

Compound Namepropan-2-yl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate
PubChem CID45102885
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Namepropan-2-yl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate
SMILESCC(C)OC(=O)C[C@@H](O)CC#C[Si](C)(C)C
InChIInChI=1S/C12H22O3Si/c1-10(2)15-12(14)9-11(13)7-6-8-16(3,4)5/h10-11,13H,7,9H2,1-5H3/t11-/m0/s1
InChIKeyZCHPDHZQFNCTIF-NSHDSACASA-N
XLogP1.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 4-hydroxy-6-trimethylsilylhex-5-ynoate
CID 13289028
Ethyl 4-hydroxy-8-trimethylsilylocta-2,7-diynoate
CID 16007054
ethyl (3R)-3-hydroxy-5-trimethylsilylpent-4-ynoate
CID 16220706
ethyl (2S,3R)-3-hydroxy-2-methyl-5-trimethylsilylpent-4-ynoate
CID 16220707
Methyl 3-hydroxy-7-trimethylsilylhept-6-ynoate
CID 85764765
Ethyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
CID 101907487
methyl (3R)-3-hydroxyhept-5-ynoate
CID 131231321
tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynoate
CID 135036966
[(1S,3S)-3-hydroxy-1-trimethylsilylpentyl] propanoate
CID 135057288
3-Tri(propan-2-yl)silyloxydec-5-ynoic acid
CID 10521150
ethyl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate
CID 11356639
Methyl 4-hydroxy-2-trimethylsilylhex-5-ynoate
CID 19005815

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate?
The IUPAC name of propan-2-yl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate (CID 45102885) is propan-2-yl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate.
What is the SMILES notation for propan-2-yl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate?
The canonical SMILES for propan-2-yl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate is CC(C)OC(=O)C[C@@H](O)CC#C[Si](C)(C)C.
What is the InChIKey of propan-2-yl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate?
The InChIKey is ZCHPDHZQFNCTIF-NSHDSACASA-N. The full InChI is InChI=1S/C12H22O3Si/c1-10(2)15-12(14)9-11(13)7-6-8-16(3,4)5/h10-11,13H,7,9H2,1-5H3/t11-/m0/s1.
What are the key properties of propan-2-yl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate?
propan-2-yl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate has a molecular weight of 242.39 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate is sourced from PubChem (CID 45102885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).