ethyl (2Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylidenecyclopentylidene]acetate

C18H32O3Si — CID 101181778

IUPACethyl (2Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylidenecyclopentylidene]acetate
SMILESCCOC(=O)/C=C1/C(=C(C)C)CC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O3Si/c1-9-20-17(19)12-15-14(13(2)3)10-11-16(15)21-22(7,8)18(4,5)6/h12,16H,9-11H2,1-8H3/b15-12-/t16-/m1/s1
InChIKeyIZAWSMSQPWOCNP-RTYFKUQISA-N
MW324.54 g/mol
LogP5.00
Rot. Bonds4

About ethyl (2Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylidenecyclopentylidene]acetate

ethyl (2Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylidenecyclopentylidene]acetate (PubChem CID 101181778) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is ethyl (2Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylidenecyclopentylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylidenecyclopentylidene]acetate
PubChem CID101181778
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Nameethyl (2Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylidenecyclopentylidene]acetate
SMILESCCOC(=O)/C=C1/C(=C(C)C)CC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O3Si/c1-9-20-17(19)12-15-14(13(2)3)10-11-16(15)21-22(7,8)18(4,5)6/h12,16H,9-11H2,1-8H3/b15-12-/t16-/m1/s1
InChIKeyIZAWSMSQPWOCNP-RTYFKUQISA-N
XLogP5.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 55.00
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

ethyl (2E)-2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]acetate
CID 11080703
ethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate
CID 68768815
ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate
CID 175199551
ethyl (2E)-2-[(3R,3aS,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-ylidene]acetate
CID 131735088
ethyl 2-[(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopentylidene]acetate
CID 67216895
tert-butyl (2S,5E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2-ethoxy-2-oxoethylidene)pyrrolidine-1-carboxylate
CID 134970492
ethyl (2E,4E)-5-[(2R,3S,4E)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2-ethoxy-2-oxoethylidene)oxan-2-yl]penta-2,4-dienoate
CID 15934810
ethyl 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3,4,5-tetrahydro-1H-inden-4-yl]-2,2-difluoroacetate
CID 162591066
ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylprop-2-enoate
CID 54522680
ethyl (E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 11587717
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate
CID 101451880
ethyl (2Z)-2-(2-tert-butylcyclopentylidene)acetate
CID 165488646

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylidenecyclopentylidene]acetate?
The IUPAC name of ethyl (2Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylidenecyclopentylidene]acetate (CID 101181778) is ethyl (2Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylidenecyclopentylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylidenecyclopentylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylidenecyclopentylidene]acetate is CCOC(=O)/C=C1/C(=C(C)C)CC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylidenecyclopentylidene]acetate?
The InChIKey is IZAWSMSQPWOCNP-RTYFKUQISA-N. The full InChI is InChI=1S/C18H32O3Si/c1-9-20-17(19)12-15-14(13(2)3)10-11-16(15)21-22(7,8)18(4,5)6/h12,16H,9-11H2,1-8H3/b15-12-/t16-/m1/s1.
What are the key properties of ethyl (2Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylidenecyclopentylidene]acetate?
ethyl (2Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylidenecyclopentylidene]acetate has a molecular weight of 324.54 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylidenecyclopentylidene]acetate is sourced from PubChem (CID 101181778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).