2-tert-butyl-6-[[cyclopentyl(methyl)amino]-dimethylsilyl]phenol

C18H31NOSi — CID 123383962

IUPAC2-tert-butyl-6-[[cyclopentyl(methyl)amino]-dimethylsilyl]phenol
SMILESCN(C1CCCC1)[Si](C)(C)c1cccc(C(C)(C)C)c1O
InChIInChI=1S/C18H31NOSi/c1-18(2,3)15-12-9-13-16(17(15)20)21(5,6)19(4)14-10-7-8-11-14/h9,12-14,20H,7-8,10-11H2,1-6H3
InChIKeyBHMTWYHNXHPPNH-UHFFFAOYSA-N
MW305.54 g/mol
LogP3.98
Rot. Bonds3

About 2-tert-butyl-6-[[cyclopentyl(methyl)amino]-dimethylsilyl]phenol

2-tert-butyl-6-[[cyclopentyl(methyl)amino]-dimethylsilyl]phenol (PubChem CID 123383962) has the molecular formula C18H31NOSi and a molecular weight of 305.54 g/mol. Its IUPAC name is 2-tert-butyl-6-[[cyclopentyl(methyl)amino]-dimethylsilyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[[cyclopentyl(methyl)amino]-dimethylsilyl]phenol
PubChem CID123383962
Molecular FormulaC18H31NOSi
Molecular Weight305.54 g/mol
Exact Mass305.22
IUPAC Name2-tert-butyl-6-[[cyclopentyl(methyl)amino]-dimethylsilyl]phenol
SMILESCN(C1CCCC1)[Si](C)(C)c1cccc(C(C)(C)C)c1O
InChIInChI=1S/C18H31NOSi/c1-18(2,3)15-12-9-13-16(17(15)20)21(5,6)19(4)14-10-7-8-11-14/h9,12-14,20H,7-8,10-11H2,1-6H3
InChIKeyBHMTWYHNXHPPNH-UHFFFAOYSA-N
XLogP3.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.54
LogP ≤ 53.98
H-Bond Donors ≤ 51
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 2-tert-butyl-6-[[cyclopentyl(methyl)amino]-dimethylsilyl]phenol?
The IUPAC name of 2-tert-butyl-6-[[cyclopentyl(methyl)amino]-dimethylsilyl]phenol (CID 123383962) is 2-tert-butyl-6-[[cyclopentyl(methyl)amino]-dimethylsilyl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[[cyclopentyl(methyl)amino]-dimethylsilyl]phenol?
The canonical SMILES for 2-tert-butyl-6-[[cyclopentyl(methyl)amino]-dimethylsilyl]phenol is CN(C1CCCC1)[Si](C)(C)c1cccc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-6-[[cyclopentyl(methyl)amino]-dimethylsilyl]phenol?
The InChIKey is BHMTWYHNXHPPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NOSi/c1-18(2,3)15-12-9-13-16(17(15)20)21(5,6)19(4)14-10-7-8-11-14/h9,12-14,20H,7-8,10-11H2,1-6H3.
What are the key properties of 2-tert-butyl-6-[[cyclopentyl(methyl)amino]-dimethylsilyl]phenol?
2-tert-butyl-6-[[cyclopentyl(methyl)amino]-dimethylsilyl]phenol has a molecular weight of 305.54 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[[cyclopentyl(methyl)amino]-dimethylsilyl]phenol is sourced from PubChem (CID 123383962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).