1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]cyclopentan-1-ol

C18H30O3Si — CID 123400363

IUPAC1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]cyclopentan-1-ol
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(CO)c(C2(O)CCCC2)c1
InChIInChI=1S/C18H30O3Si/c1-17(2,3)22(4,5)21-15-9-8-14(13-19)16(12-15)18(20)10-6-7-11-18/h8-9,12,19-20H,6-7,10-11,13H2,1-5H3
InChIKeyLBQILDAJUIDDRP-UHFFFAOYSA-N
MW322.52 g/mol
LogP4.32
Rot. Bonds4

About 1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]cyclopentan-1-ol

1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]cyclopentan-1-ol (PubChem CID 123400363) has the molecular formula C18H30O3Si and a molecular weight of 322.52 g/mol. Its IUPAC name is 1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]cyclopentan-1-ol
PubChem CID123400363
Molecular FormulaC18H30O3Si
Molecular Weight322.52 g/mol
Exact Mass322.20
IUPAC Name1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]cyclopentan-1-ol
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(CO)c(C2(O)CCCC2)c1
InChIInChI=1S/C18H30O3Si/c1-17(2,3)22(4,5)21-15-9-8-14(13-19)16(12-15)18(20)10-6-7-11-18/h8-9,12,19-20H,6-7,10-11,13H2,1-5H3
InChIKeyLBQILDAJUIDDRP-UHFFFAOYSA-N
XLogP4.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 54.32
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

2-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 123547238
2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7,8,9,10-tetrahydro-6H-benzo[8]annulen-5-ol
CID 66557261
[2-bromo-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanol
CID 169448639
3-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]propan-1-ol
CID 175118299
2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetic acid
CID 90282017
2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxybenzoic acid
CID 175152418
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
8-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 59541910
tert-butyl-[4-[2-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]phenoxy]-dimethylsilane
CID 68940291
2-[3-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]ethanol
CID 170782164
4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2,2-trifluoroethyl)aniline
CID 163375991
[2-[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclohexyl]phenyl]methanol
CID 156775392

Frequently Asked Questions

What is the IUPAC name of 1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]cyclopentan-1-ol?
The IUPAC name of 1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]cyclopentan-1-ol (CID 123400363) is 1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]cyclopentan-1-ol?
The canonical SMILES for 1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]cyclopentan-1-ol is CC(C)(C)[Si](C)(C)Oc1ccc(CO)c(C2(O)CCCC2)c1.
What is the InChIKey of 1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]cyclopentan-1-ol?
The InChIKey is LBQILDAJUIDDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3Si/c1-17(2,3)22(4,5)21-15-9-8-14(13-19)16(12-15)18(20)10-6-7-11-18/h8-9,12,19-20H,6-7,10-11,13H2,1-5H3.
What are the key properties of 1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]cyclopentan-1-ol?
1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]cyclopentan-1-ol has a molecular weight of 322.52 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]cyclopentan-1-ol is sourced from PubChem (CID 123400363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).