[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclopentyl]methanol

C13H28O3Si — CID 140956891

IUPAC[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclopentyl]methanol
SMILESCC(C)(C)[Si](C)(C)OC1CCC(CO)(CO)C1
InChIInChI=1S/C13H28O3Si/c1-12(2,3)17(4,5)16-11-6-7-13(8-11,9-14)10-15/h11,14-15H,6-10H2,1-5H3
InChIKeyXTCAIHIVKOJMKW-UHFFFAOYSA-N
MW260.45 g/mol
LogP2.53
Rot. Bonds4

About [3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclopentyl]methanol

[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclopentyl]methanol (PubChem CID 140956891) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is [3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclopentyl]methanol
PubChem CID140956891
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Name[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclopentyl]methanol
SMILESCC(C)(C)[Si](C)(C)OC1CCC(CO)(CO)C1
InChIInChI=1S/C13H28O3Si/c1-12(2,3)17(4,5)16-11-6-7-13(8-11,9-14)10-15/h11,14-15H,6-10H2,1-5H3
InChIKeyXTCAIHIVKOJMKW-UHFFFAOYSA-N
XLogP2.53
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-[3-[tert-butyl(dimethyl)silyl]oxy-1-(9-hydroxynonyl)cyclopentyl]nonan-1-ol
CID 140956897
10-[3-[tert-butyl(dimethyl)silyl]oxy-1-(10-oxodecyl)cyclopentyl]decanal
CID 140956876
4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohexan-1-ol
CID 11097760
4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid
CID 175981383
4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylic acid
CID 160745300
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanol
CID 66698189
[(2S,8R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 164521802
[4-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxypropyl)cyclohexyl]carbamic acid
CID 141208174
[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
CID 59000904
[2-[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclohexyl]phenyl]methanol
CID 156775392
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylate
CID 157320752
trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(hydroxymethyl)cyclohexane-1,4-diol
CID 11761328

Frequently Asked Questions

What is the IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclopentyl]methanol?
The IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclopentyl]methanol (CID 140956891) is [3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclopentyl]methanol.
What is the SMILES notation for [3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclopentyl]methanol?
The canonical SMILES for [3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclopentyl]methanol is CC(C)(C)[Si](C)(C)OC1CCC(CO)(CO)C1.
What is the InChIKey of [3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclopentyl]methanol?
The InChIKey is XTCAIHIVKOJMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-12(2,3)17(4,5)16-11-6-7-13(8-11,9-14)10-15/h11,14-15H,6-10H2,1-5H3.
What are the key properties of [3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclopentyl]methanol?
[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclopentyl]methanol has a molecular weight of 260.45 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclopentyl]methanol is sourced from PubChem (CID 140956891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).