ethyl (Z)-4-[(1S,2S)-2-(3-hydroxypropyl)cyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate

C18H34O3Si — CID 10336525

IUPACethyl (Z)-4-[(1S,2S)-2-(3-hydroxypropyl)cyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate
SMILESCCOC(=O)/C(=C/C[C@@H]1CCC[C@H]1CCCO)C[Si](C)(C)C
InChIInChI=1S/C18H34O3Si/c1-5-21-18(20)17(14-22(2,3)4)12-11-16-9-6-8-15(16)10-7-13-19/h12,15-16,19H,5-11,13-14H2,1-4H3/b17-12+/t15-,16-/m0/s1
InChIKeyBOUODYYZLZIJDJ-KVEHIFQYSA-N
MW326.55 g/mol
LogP4.39
Rot. Bonds9

About ethyl (Z)-4-[(1S,2S)-2-(3-hydroxypropyl)cyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate

ethyl (Z)-4-[(1S,2S)-2-(3-hydroxypropyl)cyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate (PubChem CID 10336525) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is ethyl (Z)-4-[(1S,2S)-2-(3-hydroxypropyl)cyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-4-[(1S,2S)-2-(3-hydroxypropyl)cyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate
PubChem CID10336525
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Nameethyl (Z)-4-[(1S,2S)-2-(3-hydroxypropyl)cyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate
SMILESCCOC(=O)/C(=C/C[C@@H]1CCC[C@H]1CCCO)C[Si](C)(C)C
InChIInChI=1S/C18H34O3Si/c1-5-21-18(20)17(14-22(2,3)4)12-11-16-9-6-8-15(16)10-7-13-19/h12,15-16,19H,5-11,13-14H2,1-4H3/b17-12+/t15-,16-/m0/s1
InChIKeyBOUODYYZLZIJDJ-KVEHIFQYSA-N
XLogP4.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-4-[(1S,2S)-2-(3-hydroxypropyl)cyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate?
The IUPAC name of ethyl (Z)-4-[(1S,2S)-2-(3-hydroxypropyl)cyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate (CID 10336525) is ethyl (Z)-4-[(1S,2S)-2-(3-hydroxypropyl)cyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate.
What is the SMILES notation for ethyl (Z)-4-[(1S,2S)-2-(3-hydroxypropyl)cyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate?
The canonical SMILES for ethyl (Z)-4-[(1S,2S)-2-(3-hydroxypropyl)cyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate is CCOC(=O)/C(=C/C[C@@H]1CCC[C@H]1CCCO)C[Si](C)(C)C.
What is the InChIKey of ethyl (Z)-4-[(1S,2S)-2-(3-hydroxypropyl)cyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate?
The InChIKey is BOUODYYZLZIJDJ-KVEHIFQYSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-5-21-18(20)17(14-22(2,3)4)12-11-16-9-6-8-15(16)10-7-13-19/h12,15-16,19H,5-11,13-14H2,1-4H3/b17-12+/t15-,16-/m0/s1.
What are the key properties of ethyl (Z)-4-[(1S,2S)-2-(3-hydroxypropyl)cyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate?
ethyl (Z)-4-[(1S,2S)-2-(3-hydroxypropyl)cyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate has a molecular weight of 326.55 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-4-[(1S,2S)-2-(3-hydroxypropyl)cyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate is sourced from PubChem (CID 10336525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).