ethyl 3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]prop-2-enoate

C16H30O3Si — CID 123931609

IUPACethyl 3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]prop-2-enoate
SMILESCCOC(=O)C=C[C@@H]1CCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-7-18-15(17)12-11-13-9-8-10-14(13)19-20(5,6)16(2,3)4/h11-14H,7-10H2,1-6H3/t13-,14-/m0/s1
InChIKeyDNBMMGHRQSZYCE-KBPBESRZSA-N
MW298.50 g/mol
LogP4.30
Rot. Bonds5

About ethyl 3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]prop-2-enoate

ethyl 3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]prop-2-enoate (PubChem CID 123931609) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is ethyl 3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]prop-2-enoate
PubChem CID123931609
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Nameethyl 3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]prop-2-enoate
SMILESCCOC(=O)C=C[C@@H]1CCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-7-18-15(17)12-11-13-9-8-10-14(13)19-20(5,6)16(2,3)4/h11-14H,7-10H2,1-6H3/t13-,14-/m0/s1
InChIKeyDNBMMGHRQSZYCE-KBPBESRZSA-N
XLogP4.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.30
H-Bond Donors ≤ 50
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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Related Compounds

methyl (Z)-3-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-yl]prop-2-enoate
CID 138985052
ethyl (2E,4S,5S,6R,8E,10E)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyldodeca-2,8,10-trienoate
CID 71546755
(5S,6R)-6-{[tert-butyl(dimethyl)silyl]oxy}-1-oxaspiro[4.4]non-3-en-2-one
CID 10563859
(5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]non-3-en-2-one
CID 10801878
(2S)-2-[(2R,3R)-3-tri(propan-2-yl)silyloxyhept-6-en-2-yl]-2,3-dihydropyran-6-one
CID 10926661
ethyl (E,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylhept-2-enoate
CID 11080521
ethyl (E,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enoate
CID 11197810
methyl (2E,5R,6S,7S,8E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dienoate
CID 11259620
ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-enoate
CID 11403840
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enoate
CID 14379849
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 23642892
ethyl (2Z)-2-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-1-en-2-ylcyclopentylidene]acetate
CID 101012135

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]prop-2-enoate?
The IUPAC name of ethyl 3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]prop-2-enoate (CID 123931609) is ethyl 3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]prop-2-enoate?
The canonical SMILES for ethyl 3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]prop-2-enoate is CCOC(=O)C=C[C@@H]1CCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]prop-2-enoate?
The InChIKey is DNBMMGHRQSZYCE-KBPBESRZSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-7-18-15(17)12-11-13-9-8-10-14(13)19-20(5,6)16(2,3)4/h11-14H,7-10H2,1-6H3/t13-,14-/m0/s1.
What are the key properties of ethyl 3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]prop-2-enoate?
ethyl 3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]prop-2-enoate has a molecular weight of 298.50 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]prop-2-enoate is sourced from PubChem (CID 123931609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).