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

C20H42O3Si2 — CID 139774093

IUPAC[4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)(C)C)CC=C(CO)C1
InChIInChI=1S/C20H42O3Si2/c1-18(2,3)24(7,8)22-15-20(12-11-17(13-20)14-21)16-23-25(9,10)19(4,5)6/h11,21H,12-16H2,1-10H3
InChIKeyMACCHZAGEFYCSH-UHFFFAOYSA-N
MW386.73 g/mol
LogP5.73
Rot. Bonds7

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

[4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol (PubChem CID 139774093) has the molecular formula C20H42O3Si2 and a molecular weight of 386.73 g/mol. Its IUPAC name is [4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol.

Molecular Properties

Compound Name[4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol
PubChem CID139774093
Molecular FormulaC20H42O3Si2
Molecular Weight386.73 g/mol
Exact Mass386.27
IUPAC Name[4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)(C)C)CC=C(CO)C1
InChIInChI=1S/C20H42O3Si2/c1-18(2,3)24(7,8)22-15-20(12-11-17(13-20)14-21)16-23-25(9,10)19(4,5)6/h11,21H,12-16H2,1-10H3
InChIKeyMACCHZAGEFYCSH-UHFFFAOYSA-N
XLogP5.73
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 ≤ 55.73
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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Related Compounds

[(1R,2R)-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol
CID 14961478
[(1R,2R)-3-methyl-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol
CID 14961479
(1S,4S)-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-ol
CID 138969078
(4-t-Butyldimethylsilyloxymethylcyclopent-1-en-1-yl)methyl alcohol
CID 54331641
[3,4-Di(t-butyldimethylsilyloxymethyl)cyclopent-1-en-1-yl]methyl alcohol
CID 67554500
6-[Tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-4-ol
CID 91552534
3,3,5,8,8-Pentamethyl-11-tri(propan-2-yl)silyloxyundec-5-en-1-ol
CID 123989502
(E)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,5-diol
CID 139994432
(E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-3-trimethylsilyloxyoct-6-en-1-ol
CID 156686188
(E)-2-methyl-3-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-bicyclo[1.1.1]pentanyl]prop-2-en-1-ol
CID 165155744
(E)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-3-trimethylsilyloxyoct-6-en-1-ol
CID 173943738
(E,3R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,4-trimethyl-3-trimethylsilyloxydodec-4-en-1-ol
CID 10575320

Frequently Asked Questions

What is the IUPAC name of [4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol?
The IUPAC name of [4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol (CID 139774093) is [4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol.
What is the SMILES notation for [4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol?
The canonical SMILES for [4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol is CC(C)(C)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)(C)C)CC=C(CO)C1.
What is the InChIKey of [4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol?
The InChIKey is MACCHZAGEFYCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O3Si2/c1-18(2,3)24(7,8)22-15-20(12-11-17(13-20)14-21)16-23-25(9,10)19(4,5)6/h11,21H,12-16H2,1-10H3.
What are the key properties of [4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol?
[4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol has a molecular weight of 386.73 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol is sourced from PubChem (CID 139774093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).