(3-tert-butyl-1,4-oxazepan-3-yl)methanol

C10H21NO2 — CID 105442734

IUPAC(3-tert-butyl-1,4-oxazepan-3-yl)methanol
SMILESCC(C)(C)C1(CO)COCCCN1
InChIInChI=1S/C10H21NO2/c1-9(2,3)10(7-12)8-13-6-4-5-11-10/h11-12H,4-8H2,1-3H3
InChIKeyUGNZZLIEZWTGML-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.77
Rot. Bonds1

About (3-tert-butyl-1,4-oxazepan-3-yl)methanol

(3-tert-butyl-1,4-oxazepan-3-yl)methanol (PubChem CID 105442734) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (3-tert-butyl-1,4-oxazepan-3-yl)methanol.

Molecular Properties

Compound Name(3-tert-butyl-1,4-oxazepan-3-yl)methanol
PubChem CID105442734
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(3-tert-butyl-1,4-oxazepan-3-yl)methanol
SMILESCC(C)(C)C1(CO)COCCCN1
InChIInChI=1S/C10H21NO2/c1-9(2,3)10(7-12)8-13-6-4-5-11-10/h11-12H,4-8H2,1-3H3
InChIKeyUGNZZLIEZWTGML-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3-tert-butyl-1,4-oxazepan-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-1,4-oxazepan-3-yl)methanol?
The IUPAC name of (3-tert-butyl-1,4-oxazepan-3-yl)methanol (CID 105442734) is (3-tert-butyl-1,4-oxazepan-3-yl)methanol.
What is the SMILES notation for (3-tert-butyl-1,4-oxazepan-3-yl)methanol?
The canonical SMILES for (3-tert-butyl-1,4-oxazepan-3-yl)methanol is CC(C)(C)C1(CO)COCCCN1.
What is the InChIKey of (3-tert-butyl-1,4-oxazepan-3-yl)methanol?
The InChIKey is UGNZZLIEZWTGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2,3)10(7-12)8-13-6-4-5-11-10/h11-12H,4-8H2,1-3H3.
What are the key properties of (3-tert-butyl-1,4-oxazepan-3-yl)methanol?
(3-tert-butyl-1,4-oxazepan-3-yl)methanol has a molecular weight of 187.28 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-1,4-oxazepan-3-yl)methanol is sourced from PubChem (CID 105442734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).