butyl (E,3R)-3-hydroxy-5-trimethylsilylpent-4-enoate

C12H24O3Si — CID 15907386

IUPACbutyl (E,3R)-3-hydroxy-5-trimethylsilylpent-4-enoate
SMILESCCCCOC(=O)C[C@@H](O)/C=C/[Si](C)(C)C
InChIInChI=1S/C12H24O3Si/c1-5-6-8-15-12(14)10-11(13)7-9-16(2,3)4/h7,9,11,13H,5-6,8,10H2,1-4H3/b9-7+/t11-/m0/s1
InChIKeyVVRBIGAKXPLXFU-DJYGCBNOSA-N
MW244.41 g/mol
LogP2.51
Rot. Bonds7

About butyl (E,3R)-3-hydroxy-5-trimethylsilylpent-4-enoate

butyl (E,3R)-3-hydroxy-5-trimethylsilylpent-4-enoate (PubChem CID 15907386) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is butyl (E,3R)-3-hydroxy-5-trimethylsilylpent-4-enoate.

Molecular Properties

Compound Namebutyl (E,3R)-3-hydroxy-5-trimethylsilylpent-4-enoate
PubChem CID15907386
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Namebutyl (E,3R)-3-hydroxy-5-trimethylsilylpent-4-enoate
SMILESCCCCOC(=O)C[C@@H](O)/C=C/[Si](C)(C)C
InChIInChI=1S/C12H24O3Si/c1-5-6-8-15-12(14)10-11(13)7-9-16(2,3)4/h7,9,11,13H,5-6,8,10H2,1-4H3/b9-7+/t11-/m0/s1
InChIKeyVVRBIGAKXPLXFU-DJYGCBNOSA-N
XLogP2.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.51
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

dibutyl heptadecanedioate
CID 87117348
butyl butanoate;propane-1,2-diol
CID 159909381
1-O-butyl 4-O-heptyl butanedioate
CID 91701655
butyl dodecanoate;stannane
CID 173127459
butyl hexanoate;λ2-stannane
CID 174326470
butyl nonadecanoate
CID 3015296
butyl octadecanoate;stannane
CID 173304092
butyl pentacosanoate
CID 54548273
pentyl 4,4-dihydroxy-3-methylbutanoate
CID 89428735
dodecyl 3-hydroxybutanoate
CID 18955122
dibutyl 2-bromobutanedioate
CID 45116964
tridecyl 3,3-bis(sulfanyl)propanoate
CID 123399536

Frequently Asked Questions

What is the IUPAC name of butyl (E,3R)-3-hydroxy-5-trimethylsilylpent-4-enoate?
The IUPAC name of butyl (E,3R)-3-hydroxy-5-trimethylsilylpent-4-enoate (CID 15907386) is butyl (E,3R)-3-hydroxy-5-trimethylsilylpent-4-enoate.
What is the SMILES notation for butyl (E,3R)-3-hydroxy-5-trimethylsilylpent-4-enoate?
The canonical SMILES for butyl (E,3R)-3-hydroxy-5-trimethylsilylpent-4-enoate is CCCCOC(=O)C[C@@H](O)/C=C/[Si](C)(C)C.
What is the InChIKey of butyl (E,3R)-3-hydroxy-5-trimethylsilylpent-4-enoate?
The InChIKey is VVRBIGAKXPLXFU-DJYGCBNOSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-5-6-8-15-12(14)10-11(13)7-9-16(2,3)4/h7,9,11,13H,5-6,8,10H2,1-4H3/b9-7+/t11-/m0/s1.
What are the key properties of butyl (E,3R)-3-hydroxy-5-trimethylsilylpent-4-enoate?
butyl (E,3R)-3-hydroxy-5-trimethylsilylpent-4-enoate has a molecular weight of 244.41 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (E,3R)-3-hydroxy-5-trimethylsilylpent-4-enoate is sourced from PubChem (CID 15907386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).