(6R)-4-methyl-6-propan-2-yl-1,4-oxazepane

C9H19NO — CID 118445298

IUPAC(6R)-4-methyl-6-propan-2-yl-1,4-oxazepane
SMILESCC(C)[C@H]1COCCN(C)C1
InChIInChI=1S/C9H19NO/c1-8(2)9-6-10(3)4-5-11-7-9/h8-9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyIPOBZNCNMPVUHO-SECBINFHSA-N
MW157.26 g/mol
LogP1.22
Rot. Bonds1

About (6R)-4-methyl-6-propan-2-yl-1,4-oxazepane

(6R)-4-methyl-6-propan-2-yl-1,4-oxazepane (PubChem CID 118445298) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (6R)-4-methyl-6-propan-2-yl-1,4-oxazepane.

Molecular Properties

Compound Name(6R)-4-methyl-6-propan-2-yl-1,4-oxazepane
PubChem CID118445298
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(6R)-4-methyl-6-propan-2-yl-1,4-oxazepane
SMILESCC(C)[C@H]1COCCN(C)C1
InChIInChI=1S/C9H19NO/c1-8(2)9-6-10(3)4-5-11-7-9/h8-9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyIPOBZNCNMPVUHO-SECBINFHSA-N
XLogP1.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-methyl-6-propan-2-yl-1,4-oxazepane?
The IUPAC name of (6R)-4-methyl-6-propan-2-yl-1,4-oxazepane (CID 118445298) is (6R)-4-methyl-6-propan-2-yl-1,4-oxazepane.
What is the SMILES notation for (6R)-4-methyl-6-propan-2-yl-1,4-oxazepane?
The canonical SMILES for (6R)-4-methyl-6-propan-2-yl-1,4-oxazepane is CC(C)[C@H]1COCCN(C)C1.
What is the InChIKey of (6R)-4-methyl-6-propan-2-yl-1,4-oxazepane?
The InChIKey is IPOBZNCNMPVUHO-SECBINFHSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)9-6-10(3)4-5-11-7-9/h8-9H,4-7H2,1-3H3/t9-/m1/s1.
What are the key properties of (6R)-4-methyl-6-propan-2-yl-1,4-oxazepane?
(6R)-4-methyl-6-propan-2-yl-1,4-oxazepane has a molecular weight of 157.26 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-methyl-6-propan-2-yl-1,4-oxazepane is sourced from PubChem (CID 118445298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).