7-hexan-2-yl-2-oxa-7-azaspiro[3.4]octane

C12H23NO — CID 138625328

IUPAC7-hexan-2-yl-2-oxa-7-azaspiro[3.4]octane
SMILESCCCCC(C)N1CCC2(COC2)C1
InChIInChI=1S/C12H23NO/c1-3-4-5-11(2)13-7-6-12(8-13)9-14-10-12/h11H,3-10H2,1-2H3
InChIKeyVVHKFEUCNXJUFB-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.29
Rot. Bonds4

About 7-hexan-2-yl-2-oxa-7-azaspiro[3.4]octane

7-hexan-2-yl-2-oxa-7-azaspiro[3.4]octane (PubChem CID 138625328) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 7-hexan-2-yl-2-oxa-7-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-hexan-2-yl-2-oxa-7-azaspiro[3.4]octane
PubChem CID138625328
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name7-hexan-2-yl-2-oxa-7-azaspiro[3.4]octane
SMILESCCCCC(C)N1CCC2(COC2)C1
InChIInChI=1S/C12H23NO/c1-3-4-5-11(2)13-7-6-12(8-13)9-14-10-12/h11H,3-10H2,1-2H3
InChIKeyVVHKFEUCNXJUFB-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-hexan-2-yl-2-oxa-7-azaspiro[3.4]octane?
The IUPAC name of 7-hexan-2-yl-2-oxa-7-azaspiro[3.4]octane (CID 138625328) is 7-hexan-2-yl-2-oxa-7-azaspiro[3.4]octane.
What is the SMILES notation for 7-hexan-2-yl-2-oxa-7-azaspiro[3.4]octane?
The canonical SMILES for 7-hexan-2-yl-2-oxa-7-azaspiro[3.4]octane is CCCCC(C)N1CCC2(COC2)C1.
What is the InChIKey of 7-hexan-2-yl-2-oxa-7-azaspiro[3.4]octane?
The InChIKey is VVHKFEUCNXJUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-4-5-11(2)13-7-6-12(8-13)9-14-10-12/h11H,3-10H2,1-2H3.
What are the key properties of 7-hexan-2-yl-2-oxa-7-azaspiro[3.4]octane?
7-hexan-2-yl-2-oxa-7-azaspiro[3.4]octane has a molecular weight of 197.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hexan-2-yl-2-oxa-7-azaspiro[3.4]octane is sourced from PubChem (CID 138625328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).