(Z)-5-[benzyl(dimethyl)silyl]-2-propan-2-ylpent-4-enoic acid

C17H26O2Si — CID 177443047

IUPAC(Z)-5-[benzyl(dimethyl)silyl]-2-propan-2-ylpent-4-enoic acid
SMILESCC(C)C(C/C=C\[Si](C)(C)Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H26O2Si/c1-14(2)16(17(18)19)11-8-12-20(3,4)13-15-9-6-5-7-10-15/h5-10,12,14,16H,11,13H2,1-4H3,(H,18,19)/b12-8-
InChIKeyJZSPFDUVGPEOOY-WQLSENKSSA-N
MW290.48 g/mol
LogP4.32
Rot. Bonds7

About (Z)-5-[benzyl(dimethyl)silyl]-2-propan-2-ylpent-4-enoic acid

(Z)-5-[benzyl(dimethyl)silyl]-2-propan-2-ylpent-4-enoic acid (PubChem CID 177443047) has the molecular formula C17H26O2Si and a molecular weight of 290.48 g/mol. Its IUPAC name is (Z)-5-[benzyl(dimethyl)silyl]-2-propan-2-ylpent-4-enoic acid.

Molecular Properties

Compound Name(Z)-5-[benzyl(dimethyl)silyl]-2-propan-2-ylpent-4-enoic acid
PubChem CID177443047
Molecular FormulaC17H26O2Si
Molecular Weight290.48 g/mol
Exact Mass290.17
IUPAC Name(Z)-5-[benzyl(dimethyl)silyl]-2-propan-2-ylpent-4-enoic acid
SMILESCC(C)C(C/C=C\[Si](C)(C)Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H26O2Si/c1-14(2)16(17(18)19)11-8-12-20(3,4)13-15-9-6-5-7-10-15/h5-10,12,14,16H,11,13H2,1-4H3,(H,18,19)/b12-8-
InChIKeyJZSPFDUVGPEOOY-WQLSENKSSA-N
XLogP4.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E,2S)-6-phenylmethoxy-2-propan-2-ylhex-4-enoic acid
CID 54578512
(E,2S)-5-chloro-2-propan-2-ylpent-4-enoic acid;2-phenylethanamine
CID 88545061
(Z)-5-[benzyl(dimethyl)silyl]-3-phenylpent-4-enoic acid
CID 177428351
(E,2S)-5-chloro-2-propan-2-ylpent-4-enoic acid
CID 11513844
(2R)-2-(benzylsulfanylmethyl)-3-methylbutanoic acid
CID 69474114
7-phenyl-2-propan-2-ylheptanoic acid
CID 15660880
(2S,3S)-2-benzyl-3-methylpent-4-enoic acid
CID 101105346
3-methyl-2-[(4-phenylphenyl)methyl]butanoic acid
CID 116930683
4-phenyl-2-propan-2-ylpentanoic acid
CID 67132291
(2R)-2-tert-butyl-3-(2-phenylethyl)butanedioic acid
CID 70166534
(2R)-2-[(3-hydroxyphenyl)methyl]-3-methylbutanoic acid
CID 90059046
(E,3S)-6-chloro-3-propan-2-ylhex-5-en-2-one;(E)-6-chloro-3-propan-2-ylhex-5-en-2-one;(E,2R)-5-chloro-2-propan-2-ylpent-4-enoic acid
CID 161098058

Frequently Asked Questions

What is the IUPAC name of (Z)-5-[benzyl(dimethyl)silyl]-2-propan-2-ylpent-4-enoic acid?
The IUPAC name of (Z)-5-[benzyl(dimethyl)silyl]-2-propan-2-ylpent-4-enoic acid (CID 177443047) is (Z)-5-[benzyl(dimethyl)silyl]-2-propan-2-ylpent-4-enoic acid.
What is the SMILES notation for (Z)-5-[benzyl(dimethyl)silyl]-2-propan-2-ylpent-4-enoic acid?
The canonical SMILES for (Z)-5-[benzyl(dimethyl)silyl]-2-propan-2-ylpent-4-enoic acid is CC(C)C(C/C=C\[Si](C)(C)Cc1ccccc1)C(=O)O.
What is the InChIKey of (Z)-5-[benzyl(dimethyl)silyl]-2-propan-2-ylpent-4-enoic acid?
The InChIKey is JZSPFDUVGPEOOY-WQLSENKSSA-N. The full InChI is InChI=1S/C17H26O2Si/c1-14(2)16(17(18)19)11-8-12-20(3,4)13-15-9-6-5-7-10-15/h5-10,12,14,16H,11,13H2,1-4H3,(H,18,19)/b12-8-.
What are the key properties of (Z)-5-[benzyl(dimethyl)silyl]-2-propan-2-ylpent-4-enoic acid?
(Z)-5-[benzyl(dimethyl)silyl]-2-propan-2-ylpent-4-enoic acid has a molecular weight of 290.48 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[benzyl(dimethyl)silyl]-2-propan-2-ylpent-4-enoic acid is sourced from PubChem (CID 177443047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).