methyl (E,5R)-5-hydroxy-7-trimethylsilylhept-6-enoate

C11H22O3Si — CID 134904305

IUPACmethyl (E,5R)-5-hydroxy-7-trimethylsilylhept-6-enoate
SMILESCOC(=O)CCC[C@@H](O)/C=C/[Si](C)(C)C
InChIInChI=1S/C11H22O3Si/c1-14-11(13)7-5-6-10(12)8-9-15(2,3)4/h8-10,12H,5-7H2,1-4H3/b9-8+/t10-/m1/s1
InChIKeyWMQONVSHPWHOKG-AAXQSMANSA-N
MW230.38 g/mol
LogP2.12
Rot. Bonds6

About methyl (E,5R)-5-hydroxy-7-trimethylsilylhept-6-enoate

methyl (E,5R)-5-hydroxy-7-trimethylsilylhept-6-enoate (PubChem CID 134904305) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is methyl (E,5R)-5-hydroxy-7-trimethylsilylhept-6-enoate.

Molecular Properties

Compound Namemethyl (E,5R)-5-hydroxy-7-trimethylsilylhept-6-enoate
PubChem CID134904305
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Namemethyl (E,5R)-5-hydroxy-7-trimethylsilylhept-6-enoate
SMILESCOC(=O)CCC[C@@H](O)/C=C/[Si](C)(C)C
InChIInChI=1S/C11H22O3Si/c1-14-11(13)7-5-6-10(12)8-9-15(2,3)4/h8-10,12H,5-7H2,1-4H3/b9-8+/t10-/m1/s1
InChIKeyWMQONVSHPWHOKG-AAXQSMANSA-N
XLogP2.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (E,5R)-5-hydroxy-7-trimethylsilylhept-6-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 5-hydroxyhept-6-enoate
CID 73317003
methyl (E)-5-hydroxy-9-trimethylsilylnon-6-en-8-ynoate
CID 12088256
methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-6-enoate
CID 139257724
methyl (E)-5-hydroxy-7-iodohept-6-enoate
CID 10859016
methyl (E,5S)-5-hydroxy-9-trimethylsilylnon-8-en-6-ynoate
CID 11064995
Methyl 5-hydroxyhept-6-enoate
CID 12924890
methyl (5R,6E,8E,10S)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate
CID 88894113
ethyl (5S,6E,8E,10R)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate
CID 88894135
methyl (E,5S)-5-hydroxy-7-tributylstannylhept-6-enoate
CID 156834874
(E,5S)-7-iodo-5-tri(propan-2-yl)silyloxyhept-6-enoic acid
CID 174144540
(E)-7-iodo-5-tri(propan-2-yl)silyloxyhept-6-enoic acid
CID 174144541
methyl (E,5S)-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-enoate
CID 175955553

Frequently Asked Questions

What is the IUPAC name of methyl (E,5R)-5-hydroxy-7-trimethylsilylhept-6-enoate?
The IUPAC name of methyl (E,5R)-5-hydroxy-7-trimethylsilylhept-6-enoate (CID 134904305) is methyl (E,5R)-5-hydroxy-7-trimethylsilylhept-6-enoate.
What is the SMILES notation for methyl (E,5R)-5-hydroxy-7-trimethylsilylhept-6-enoate?
The canonical SMILES for methyl (E,5R)-5-hydroxy-7-trimethylsilylhept-6-enoate is COC(=O)CCC[C@@H](O)/C=C/[Si](C)(C)C.
What is the InChIKey of methyl (E,5R)-5-hydroxy-7-trimethylsilylhept-6-enoate?
The InChIKey is WMQONVSHPWHOKG-AAXQSMANSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-14-11(13)7-5-6-10(12)8-9-15(2,3)4/h8-10,12H,5-7H2,1-4H3/b9-8+/t10-/m1/s1.
What are the key properties of methyl (E,5R)-5-hydroxy-7-trimethylsilylhept-6-enoate?
methyl (E,5R)-5-hydroxy-7-trimethylsilylhept-6-enoate has a molecular weight of 230.38 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,5R)-5-hydroxy-7-trimethylsilylhept-6-enoate is sourced from PubChem (CID 134904305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).