2-butoxy-1-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone

C14H26N2O4 — CID 95726909

IUPAC2-butoxy-1-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone
SMILESCCCCOCC(=O)N1CCO[C@@]2(CNCCOC2)C1
InChIInChI=1S/C14H26N2O4/c1-2-3-6-18-9-13(17)16-5-8-20-14(11-16)10-15-4-7-19-12-14/h15H,2-12H2,1H3/t14-/m0/s1
InChIKeySRLPZBLKSDJKPH-AWEZNQCLSA-N
MW286.37 g/mol
LogP0.02
Rot. Bonds5

About 2-butoxy-1-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone

2-butoxy-1-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone (PubChem CID 95726909) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-butoxy-1-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone.

Molecular Properties

Compound Name2-butoxy-1-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone
PubChem CID95726909
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-butoxy-1-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone
SMILESCCCCOCC(=O)N1CCO[C@@]2(CNCCOC2)C1
InChIInChI=1S/C14H26N2O4/c1-2-3-6-18-9-13(17)16-5-8-20-14(11-16)10-15-4-7-19-12-14/h15H,2-12H2,1H3/t14-/m0/s1
InChIKeySRLPZBLKSDJKPH-AWEZNQCLSA-N
XLogP0.02
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone?
The IUPAC name of 2-butoxy-1-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone (CID 95726909) is 2-butoxy-1-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone.
What is the SMILES notation for 2-butoxy-1-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone?
The canonical SMILES for 2-butoxy-1-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone is CCCCOCC(=O)N1CCO[C@@]2(CNCCOC2)C1.
What is the InChIKey of 2-butoxy-1-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone?
The InChIKey is SRLPZBLKSDJKPH-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-2-3-6-18-9-13(17)16-5-8-20-14(11-16)10-15-4-7-19-12-14/h15H,2-12H2,1H3/t14-/m0/s1.
What are the key properties of 2-butoxy-1-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone?
2-butoxy-1-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone has a molecular weight of 286.37 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone is sourced from PubChem (CID 95726909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).