3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclopent-2-en-1-ol

C23H44O3Si2 — CID 11091181

IUPAC3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclopent-2-en-1-ol
SMILESC=C/C=C(/CO[Si](C)(C)C(C)(C)C)C1=C(CO[Si](C)(C)C(C)(C)C)CCC1O
InChIInChI=1S/C23H44O3Si2/c1-12-13-18(16-25-27(8,9)22(2,3)4)21-19(14-15-20(21)24)17-26-28(10,11)23(5,6)7/h12-13,20,24H,1,14-17H2,2-11H3/b18-13-
InChIKeyHBOFWOXFDDLXLJ-AQTBWJFISA-N
MW424.77 g/mol
LogP6.59
Rot. Bonds8

About 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclopent-2-en-1-ol

3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclopent-2-en-1-ol (PubChem CID 11091181) has the molecular formula C23H44O3Si2 and a molecular weight of 424.77 g/mol. Its IUPAC name is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclopent-2-en-1-ol.

Molecular Properties

Compound Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclopent-2-en-1-ol
PubChem CID11091181
Molecular FormulaC23H44O3Si2
Molecular Weight424.77 g/mol
Exact Mass424.28
IUPAC Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclopent-2-en-1-ol
SMILESC=C/C=C(/CO[Si](C)(C)C(C)(C)C)C1=C(CO[Si](C)(C)C(C)(C)C)CCC1O
InChIInChI=1S/C23H44O3Si2/c1-12-13-18(16-25-27(8,9)22(2,3)4)21-19(14-15-20(21)24)17-26-28(10,11)23(5,6)7/h12-13,20,24H,1,14-17H2,2-11H3/b18-13-
InChIKeyHBOFWOXFDDLXLJ-AQTBWJFISA-N
XLogP6.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.77
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl-[(2E)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilyloxycyclopenten-1-yl]penta-2,4-dienoxy]-dimethylsilane
CID 11038372
tert-butyl-[3-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]-4-trimethylsilyloxycyclohex-2-en-1-yl]oxy-dimethylsilane
CID 11113802
(1S,2Z,4S,7R)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]cyclooct-2-en-1-ol
CID 15543738
5-[Tert-butyl(dimethyl)silyl]oxy-1-(cyclohepten-1-yl)pentan-1-ol
CID 24795825
(2R,3R,4Z,8E,10E)-5-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-9-methyloctadeca-4,8,10-triene-1,3-diol
CID 45258501
(3E)-1-[tert-butyl(dimethyl)silyl]oxy-3-hexylnona-3,8-dien-2-ol
CID 101365455
[6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclohepta-1,3,5-trien-1-yl]methanol
CID 134853146
(E,4S,5S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylnon-2-en-1-ol
CID 134883122
(1S)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)pentan-1-ol
CID 10518216
(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxydodec-2-en-1-ol
CID 101549315
4-[Tert-butyl(dimethyl)silyl]oxy-3-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-ol
CID 13216823
(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-ol
CID 13216824

Frequently Asked Questions

What is the IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclopent-2-en-1-ol?
The IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclopent-2-en-1-ol (CID 11091181) is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclopent-2-en-1-ol.
What is the SMILES notation for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclopent-2-en-1-ol?
The canonical SMILES for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclopent-2-en-1-ol is C=C/C=C(/CO[Si](C)(C)C(C)(C)C)C1=C(CO[Si](C)(C)C(C)(C)C)CCC1O.
What is the InChIKey of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclopent-2-en-1-ol?
The InChIKey is HBOFWOXFDDLXLJ-AQTBWJFISA-N. The full InChI is InChI=1S/C23H44O3Si2/c1-12-13-18(16-25-27(8,9)22(2,3)4)21-19(14-15-20(21)24)17-26-28(10,11)23(5,6)7/h12-13,20,24H,1,14-17H2,2-11H3/b18-13-.
What are the key properties of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclopent-2-en-1-ol?
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclopent-2-en-1-ol has a molecular weight of 424.77 g/mol, XLogP of 6.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclopent-2-en-1-ol is sourced from PubChem (CID 11091181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).