(2R)-2,4-di(propan-2-yl)-1,4-oxazepane

C11H23NO — CID 176594247

IUPAC(2R)-2,4-di(propan-2-yl)-1,4-oxazepane
SMILESCC(C)[C@@H]1CN(C(C)C)CCCO1
InChIInChI=1S/C11H23NO/c1-9(2)11-8-12(10(3)4)6-5-7-13-11/h9-11H,5-8H2,1-4H3/t11-/m0/s1
InChIKeyZPVIMZMMYGGCNK-NSHDSACASA-N
MW185.31 g/mol
LogP2.14
Rot. Bonds2

About (2R)-2,4-di(propan-2-yl)-1,4-oxazepane

(2R)-2,4-di(propan-2-yl)-1,4-oxazepane (PubChem CID 176594247) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (2R)-2,4-di(propan-2-yl)-1,4-oxazepane.

Molecular Properties

Compound Name(2R)-2,4-di(propan-2-yl)-1,4-oxazepane
PubChem CID176594247
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(2R)-2,4-di(propan-2-yl)-1,4-oxazepane
SMILESCC(C)[C@@H]1CN(C(C)C)CCCO1
InChIInChI=1S/C11H23NO/c1-9(2)11-8-12(10(3)4)6-5-7-13-11/h9-11H,5-8H2,1-4H3/t11-/m0/s1
InChIKeyZPVIMZMMYGGCNK-NSHDSACASA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

1-(4-propan-2-ylmorpholin-2-yl)ethanol
CID 79663544
2-propan-2-yl-1,4-oxazepane-4-carbonitrile
CID 131020018
2-ethynyl-4-propan-2-yl-1,4-oxazepane
CID 176594331
4-(2-bromoethyl)-2-propan-2-yl-1,4-oxazepane
CID 131183019
methane;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);2-propan-2-yloxane;2-propan-2-yloxolane;tris(1-propan-2-ylpiperidine)
CID 167539935
(2R)-4-methyl-2-propan-2-ylmorpholine
CID 155242186
oxetan-3-yl-(2-propan-2-ylmorpholin-4-yl)methanol
CID 166926455
4-(2-bromoprop-2-enyl)-2-propan-2-yl-1,4-oxazepane
CID 130636933
(4aS,7aS)-6-propan-2-yl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole
CID 129088215
4-tert-butyl-2-propan-2-ylmorpholine
CID 134252869
2-methyl-4-propan-2-ylmorpholine
CID 176666634
(5aR)-7-propan-2-yl-2,3,4,5a,6,8,9,9a-octahydro-1H-pyrido[3,4-b][1,4]oxazepine
CID 134168202

Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-di(propan-2-yl)-1,4-oxazepane?
The IUPAC name of (2R)-2,4-di(propan-2-yl)-1,4-oxazepane (CID 176594247) is (2R)-2,4-di(propan-2-yl)-1,4-oxazepane.
What is the SMILES notation for (2R)-2,4-di(propan-2-yl)-1,4-oxazepane?
The canonical SMILES for (2R)-2,4-di(propan-2-yl)-1,4-oxazepane is CC(C)[C@@H]1CN(C(C)C)CCCO1.
What is the InChIKey of (2R)-2,4-di(propan-2-yl)-1,4-oxazepane?
The InChIKey is ZPVIMZMMYGGCNK-NSHDSACASA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)11-8-12(10(3)4)6-5-7-13-11/h9-11H,5-8H2,1-4H3/t11-/m0/s1.
What are the key properties of (2R)-2,4-di(propan-2-yl)-1,4-oxazepane?
(2R)-2,4-di(propan-2-yl)-1,4-oxazepane has a molecular weight of 185.31 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-di(propan-2-yl)-1,4-oxazepane is sourced from PubChem (CID 176594247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).