4-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]phenol

C13H22O2Si — CID 71156678

IUPAC4-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]phenol
SMILESCC(C)(CCc1ccc(O)cc1)[Si](C)(C)O
InChIInChI=1S/C13H22O2Si/c1-13(2,16(3,4)15)10-9-11-5-7-12(14)8-6-11/h5-8,14-15H,9-10H2,1-4H3
InChIKeyPMBBKUBNXYNBBX-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.30
Rot. Bonds4

About 4-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]phenol

4-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]phenol (PubChem CID 71156678) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is 4-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]phenol.

Molecular Properties

Compound Name4-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]phenol
PubChem CID71156678
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name4-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]phenol
SMILESCC(C)(CCc1ccc(O)cc1)[Si](C)(C)O
InChIInChI=1S/C13H22O2Si/c1-13(2,16(3,4)15)10-9-11-5-7-12(14)8-6-11/h5-8,14-15H,9-10H2,1-4H3
InChIKeyPMBBKUBNXYNBBX-UHFFFAOYSA-N
XLogP3.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]phenol?
The IUPAC name of 4-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]phenol (CID 71156678) is 4-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]phenol.
What is the SMILES notation for 4-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]phenol?
The canonical SMILES for 4-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]phenol is CC(C)(CCc1ccc(O)cc1)[Si](C)(C)O.
What is the InChIKey of 4-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]phenol?
The InChIKey is PMBBKUBNXYNBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-13(2,16(3,4)15)10-9-11-5-7-12(14)8-6-11/h5-8,14-15H,9-10H2,1-4H3.
What are the key properties of 4-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]phenol?
4-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]phenol has a molecular weight of 238.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]phenol is sourced from PubChem (CID 71156678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).