(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

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Related Compounds

(3-methyl-1,4-oxazepan-3-yl)methanol;hydrochloride
CID 170911656
3-tert-butyl-1,4-oxazepane-3-carboxylic acid
CID 105453564
3-propyl-1,4-oxazepane-3-carboxylic acid
CID 105442568
[3-(4-fluorophenyl)-1,4-oxazepan-3-yl]methanol
CID 105482953
3-cyclopentyl-1,4-oxazepane-3-carboxylic acid
CID 105466758
8-oxa-4-azaspiro[2.6]nonane;hydrochloride
CID 119031117
2,10-dioxa-6-azaspiro[4.6]undecane
CID 118209581
methyl 3-(cyclopropylmethyl)-1,4-oxazepane-3-carboxylate
CID 105466761
2-tert-butyl-2-(2-methylpropyl)pyrrolidine
CID 66468102
(3-aminooxan-3-yl)methanol
CID 18316253
(3-cyclohexylmorpholin-3-yl)methanol
CID 105452295
3-[3-(hydroxymethyl)-1,4-oxazepan-3-yl]phenol
CID 105480408

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).