[(E,4S)-4-hydroxy-6-trimethylsilylhex-5-enyl] 2,2-dimethylpropanoate

C14H28O3Si — CID 10084652

IUPAC[(E,4S)-4-hydroxy-6-trimethylsilylhex-5-enyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCC[C@H](O)/C=C/[Si](C)(C)C
InChIInChI=1S/C14H28O3Si/c1-14(2,3)13(16)17-10-7-8-12(15)9-11-18(4,5)6/h9,11-12,15H,7-8,10H2,1-6H3/b11-9+/t12-/m0/s1
InChIKeyAVYDOMSRXJMAAJ-ZKQHCESOSA-N
MW272.46 g/mol
LogP3.15
Rot. Bonds6

About [(E,4S)-4-hydroxy-6-trimethylsilylhex-5-enyl] 2,2-dimethylpropanoate

[(E,4S)-4-hydroxy-6-trimethylsilylhex-5-enyl] 2,2-dimethylpropanoate (PubChem CID 10084652) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is [(E,4S)-4-hydroxy-6-trimethylsilylhex-5-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(E,4S)-4-hydroxy-6-trimethylsilylhex-5-enyl] 2,2-dimethylpropanoate
PubChem CID10084652
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name[(E,4S)-4-hydroxy-6-trimethylsilylhex-5-enyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCC[C@H](O)/C=C/[Si](C)(C)C
InChIInChI=1S/C14H28O3Si/c1-14(2,3)13(16)17-10-7-8-12(15)9-11-18(4,5)6/h9,11-12,15H,7-8,10H2,1-6H3/b11-9+/t12-/m0/s1
InChIKeyAVYDOMSRXJMAAJ-ZKQHCESOSA-N
XLogP3.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(E,6S)-6-hydroxy-8-trimethylsilyloct-7-enyl] 2,2-dimethylpropanoate
CID 10086198
[(E,4S)-4-hydroxy-6-iodohex-5-enyl] 2,2-dimethylpropanoate
CID 10358992
[(E,4S)-4-hydroxy-6-triethylsilylhex-5-enyl] 2,2-dimethylpropanoate
CID 10425811
4-Hydroxyhex-5-enyl 2,2-dimethylpropanoate
CID 15254810
[(E,4S)-4-hydroxy-6-tributylstannylhex-5-enyl] 2,2-dimethylpropanoate
CID 15642395

Frequently Asked Questions

What is the IUPAC name of [(E,4S)-4-hydroxy-6-trimethylsilylhex-5-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [(E,4S)-4-hydroxy-6-trimethylsilylhex-5-enyl] 2,2-dimethylpropanoate (CID 10084652) is [(E,4S)-4-hydroxy-6-trimethylsilylhex-5-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(E,4S)-4-hydroxy-6-trimethylsilylhex-5-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(E,4S)-4-hydroxy-6-trimethylsilylhex-5-enyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCCC[C@H](O)/C=C/[Si](C)(C)C.
What is the InChIKey of [(E,4S)-4-hydroxy-6-trimethylsilylhex-5-enyl] 2,2-dimethylpropanoate?
The InChIKey is AVYDOMSRXJMAAJ-ZKQHCESOSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-14(2,3)13(16)17-10-7-8-12(15)9-11-18(4,5)6/h9,11-12,15H,7-8,10H2,1-6H3/b11-9+/t12-/m0/s1.
What are the key properties of [(E,4S)-4-hydroxy-6-trimethylsilylhex-5-enyl] 2,2-dimethylpropanoate?
[(E,4S)-4-hydroxy-6-trimethylsilylhex-5-enyl] 2,2-dimethylpropanoate has a molecular weight of 272.46 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,4S)-4-hydroxy-6-trimethylsilylhex-5-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10084652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).