[3-tri(propan-2-yl)silyloxycyclopentanecarbonyl] 3-tri(propan-2-yl)silyloxycyclopentane-1-carboxylate

C30H58O5Si2 — CID 141308142

IUPAC[3-tri(propan-2-yl)silyloxycyclopentanecarbonyl] 3-tri(propan-2-yl)silyloxycyclopentane-1-carboxylate
SMILESCC(C)[Si](OC1CCC(C(=O)OC(=O)C2CCC(O[Si](C(C)C)(C(C)C)C(C)C)C2)C1)(C(C)C)C(C)C
InChIInChI=1S/C30H58O5Si2/c1-19(2)36(20(3)4,21(5)6)34-27-15-13-25(17-27)29(31)33-30(32)26-14-16-28(18-26)35-37(22(7)8,23(9)10)24(11)12/h19-28H,13-18H2,1-12H3
InChIKeyVCLMPBRXWPTLRZ-UHFFFAOYSA-N
MW554.96 g/mol
LogP8.78
Rot. Bonds12

About [3-tri(propan-2-yl)silyloxycyclopentanecarbonyl] 3-tri(propan-2-yl)silyloxycyclopentane-1-carboxylate

[3-tri(propan-2-yl)silyloxycyclopentanecarbonyl] 3-tri(propan-2-yl)silyloxycyclopentane-1-carboxylate (PubChem CID 141308142) has the molecular formula C30H58O5Si2 and a molecular weight of 554.96 g/mol. Its IUPAC name is [3-tri(propan-2-yl)silyloxycyclopentanecarbonyl] 3-tri(propan-2-yl)silyloxycyclopentane-1-carboxylate.

Molecular Properties

Compound Name[3-tri(propan-2-yl)silyloxycyclopentanecarbonyl] 3-tri(propan-2-yl)silyloxycyclopentane-1-carboxylate
PubChem CID141308142
Molecular FormulaC30H58O5Si2
Molecular Weight554.96 g/mol
Exact Mass554.38
IUPAC Name[3-tri(propan-2-yl)silyloxycyclopentanecarbonyl] 3-tri(propan-2-yl)silyloxycyclopentane-1-carboxylate
SMILESCC(C)[Si](OC1CCC(C(=O)OC(=O)C2CCC(O[Si](C(C)C)(C(C)C)C(C)C)C2)C1)(C(C)C)C(C)C
InChIInChI=1S/C30H58O5Si2/c1-19(2)36(20(3)4,21(5)6)34-27-15-13-25(17-27)29(31)33-30(32)26-14-16-28(18-26)35-37(22(7)8,23(9)10)24(11)12/h19-28H,13-18H2,1-12H3
InChIKeyVCLMPBRXWPTLRZ-UHFFFAOYSA-N
XLogP8.78
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.96
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-tri(propan-2-yl)silyloxycyclohexane-1-carboxylate
CID 58512387
cis-[(1R,3R)-3-methoxycyclohexanecarbonyl] (1S,3R)-3-methoxycyclohexane-1-carboxylate
CID 125113199
ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 141450623
cyclopropyl cyclopropanecarboxylate
CID 54407874
trans-ethyl (1S,3S)-3-ethoxycyclopentane-1-carboxylate
CID 125113083
trans-ethyl (1R,3R)-3-ethoxycyclopentane-1-carboxylate
CID 125113084
cis-[(1R,3S)-3-methylcyclohexanecarbonyl] (1S,3R)-3-methylcyclohexane-1-carboxylate
CID 98119844
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
trans-tert-butyl (1R,3R)-3-methoxycarbonyloxycyclopentane-1-carboxylate
CID 174164240
(3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate
CID 141325822
1-(3-methoxycyclopentyl)ethanone
CID 140959253

Frequently Asked Questions

What is the IUPAC name of [3-tri(propan-2-yl)silyloxycyclopentanecarbonyl] 3-tri(propan-2-yl)silyloxycyclopentane-1-carboxylate?
The IUPAC name of [3-tri(propan-2-yl)silyloxycyclopentanecarbonyl] 3-tri(propan-2-yl)silyloxycyclopentane-1-carboxylate (CID 141308142) is [3-tri(propan-2-yl)silyloxycyclopentanecarbonyl] 3-tri(propan-2-yl)silyloxycyclopentane-1-carboxylate.
What is the SMILES notation for [3-tri(propan-2-yl)silyloxycyclopentanecarbonyl] 3-tri(propan-2-yl)silyloxycyclopentane-1-carboxylate?
The canonical SMILES for [3-tri(propan-2-yl)silyloxycyclopentanecarbonyl] 3-tri(propan-2-yl)silyloxycyclopentane-1-carboxylate is CC(C)[Si](OC1CCC(C(=O)OC(=O)C2CCC(O[Si](C(C)C)(C(C)C)C(C)C)C2)C1)(C(C)C)C(C)C.
What is the InChIKey of [3-tri(propan-2-yl)silyloxycyclopentanecarbonyl] 3-tri(propan-2-yl)silyloxycyclopentane-1-carboxylate?
The InChIKey is VCLMPBRXWPTLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58O5Si2/c1-19(2)36(20(3)4,21(5)6)34-27-15-13-25(17-27)29(31)33-30(32)26-14-16-28(18-26)35-37(22(7)8,23(9)10)24(11)12/h19-28H,13-18H2,1-12H3.
What are the key properties of [3-tri(propan-2-yl)silyloxycyclopentanecarbonyl] 3-tri(propan-2-yl)silyloxycyclopentane-1-carboxylate?
[3-tri(propan-2-yl)silyloxycyclopentanecarbonyl] 3-tri(propan-2-yl)silyloxycyclopentane-1-carboxylate has a molecular weight of 554.96 g/mol, XLogP of 8.78, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-tri(propan-2-yl)silyloxycyclopentanecarbonyl] 3-tri(propan-2-yl)silyloxycyclopentane-1-carboxylate is sourced from PubChem (CID 141308142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).