[3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol

C20H42O3Si2 — CID 67554500

IUPAC[3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCC1C=C(CO)CC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O3Si2/c1-19(2,3)24(7,8)22-14-17-11-16(13-21)12-18(17)15-23-25(9,10)20(4,5)6/h11,17-18,21H,12-15H2,1-10H3
InChIKeyIUONEWZSMRIBIG-UHFFFAOYSA-N
MW386.73 g/mol
LogP5.58
Rot. Bonds7

About [3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol

[3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol (PubChem CID 67554500) has the molecular formula C20H42O3Si2 and a molecular weight of 386.73 g/mol. Its IUPAC name is [3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol.

Molecular Properties

Compound Name[3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol
PubChem CID67554500
Molecular FormulaC20H42O3Si2
Molecular Weight386.73 g/mol
Exact Mass386.27
IUPAC Name[3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCC1C=C(CO)CC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O3Si2/c1-19(2,3)24(7,8)22-14-17-11-16(13-21)12-18(17)15-23-25(9,10)20(4,5)6/h11,17-18,21H,12-15H2,1-10H3
InChIKeyIUONEWZSMRIBIG-UHFFFAOYSA-N
XLogP5.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.73
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol?
The IUPAC name of [3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol (CID 67554500) is [3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol.
What is the SMILES notation for [3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol?
The canonical SMILES for [3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol is CC(C)(C)[Si](C)(C)OCC1C=C(CO)CC1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol?
The InChIKey is IUONEWZSMRIBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O3Si2/c1-19(2,3)24(7,8)22-14-17-11-16(13-21)12-18(17)15-23-25(9,10)20(4,5)6/h11,17-18,21H,12-15H2,1-10H3.
What are the key properties of [3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol?
[3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol has a molecular weight of 386.73 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol is sourced from PubChem (CID 67554500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).