tert-butyl (2Z)-2-[2-methylidene-5-tri(propan-2-yl)silyloxycyclopentylidene]acetate

C21H38O3Si — CID 11003077

IUPACtert-butyl (2Z)-2-[2-methylidene-5-tri(propan-2-yl)silyloxycyclopentylidene]acetate
SMILESC=C1CCC(O[Si](C(C)C)(C(C)C)C(C)C)/C1=C\C(=O)OC(C)(C)C
InChIInChI=1S/C21H38O3Si/c1-14(2)25(15(3)4,16(5)6)24-19-12-11-17(7)18(19)13-20(22)23-21(8,9)10/h13-16,19H,7,11-12H2,1-6,8-10H3/b18-13-
InChIKeyLNLQBTSZEQFMHM-AQTBWJFISA-N
MW366.62 g/mol
LogP6.17
Rot. Bonds6

About tert-butyl (2Z)-2-[2-methylidene-5-tri(propan-2-yl)silyloxycyclopentylidene]acetate

tert-butyl (2Z)-2-[2-methylidene-5-tri(propan-2-yl)silyloxycyclopentylidene]acetate (PubChem CID 11003077) has the molecular formula C21H38O3Si and a molecular weight of 366.62 g/mol. Its IUPAC name is tert-butyl (2Z)-2-[2-methylidene-5-tri(propan-2-yl)silyloxycyclopentylidene]acetate.

Molecular Properties

Compound Nametert-butyl (2Z)-2-[2-methylidene-5-tri(propan-2-yl)silyloxycyclopentylidene]acetate
PubChem CID11003077
Molecular FormulaC21H38O3Si
Molecular Weight366.62 g/mol
Exact Mass366.26
IUPAC Nametert-butyl (2Z)-2-[2-methylidene-5-tri(propan-2-yl)silyloxycyclopentylidene]acetate
SMILESC=C1CCC(O[Si](C(C)C)(C(C)C)C(C)C)/C1=C\C(=O)OC(C)(C)C
InChIInChI=1S/C21H38O3Si/c1-14(2)25(15(3)4,16(5)6)24-19-12-11-17(7)18(19)13-20(22)23-21(8,9)10/h13-16,19H,7,11-12H2,1-6,8-10H3/b18-13-
InChIKeyLNLQBTSZEQFMHM-AQTBWJFISA-N
XLogP6.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.62
LogP ≤ 56.17
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2Z)-2-[2-methylidene-5-tri(propan-2-yl)silyloxycyclopentylidene]acetate?
The IUPAC name of tert-butyl (2Z)-2-[2-methylidene-5-tri(propan-2-yl)silyloxycyclopentylidene]acetate (CID 11003077) is tert-butyl (2Z)-2-[2-methylidene-5-tri(propan-2-yl)silyloxycyclopentylidene]acetate.
What is the SMILES notation for tert-butyl (2Z)-2-[2-methylidene-5-tri(propan-2-yl)silyloxycyclopentylidene]acetate?
The canonical SMILES for tert-butyl (2Z)-2-[2-methylidene-5-tri(propan-2-yl)silyloxycyclopentylidene]acetate is C=C1CCC(O[Si](C(C)C)(C(C)C)C(C)C)/C1=C\C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2Z)-2-[2-methylidene-5-tri(propan-2-yl)silyloxycyclopentylidene]acetate?
The InChIKey is LNLQBTSZEQFMHM-AQTBWJFISA-N. The full InChI is InChI=1S/C21H38O3Si/c1-14(2)25(15(3)4,16(5)6)24-19-12-11-17(7)18(19)13-20(22)23-21(8,9)10/h13-16,19H,7,11-12H2,1-6,8-10H3/b18-13-.
What are the key properties of tert-butyl (2Z)-2-[2-methylidene-5-tri(propan-2-yl)silyloxycyclopentylidene]acetate?
tert-butyl (2Z)-2-[2-methylidene-5-tri(propan-2-yl)silyloxycyclopentylidene]acetate has a molecular weight of 366.62 g/mol, XLogP of 6.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2Z)-2-[2-methylidene-5-tri(propan-2-yl)silyloxycyclopentylidene]acetate is sourced from PubChem (CID 11003077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).