4-(3-methylbutoxy)-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one

C15H29NO3 — CID 169316947

IUPAC4-(3-methylbutoxy)-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one
SMILESCC(C)CCOCCCC(=O)N1CC(OC(C)C)C1
InChIInChI=1S/C15H29NO3/c1-12(2)7-9-18-8-5-6-15(17)16-10-14(11-16)19-13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyVCZPCGMAVIKDSM-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.47
Rot. Bonds9

About 4-(3-methylbutoxy)-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one

4-(3-methylbutoxy)-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one (PubChem CID 169316947) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-(3-methylbutoxy)-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-(3-methylbutoxy)-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one
PubChem CID169316947
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name4-(3-methylbutoxy)-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one
SMILESCC(C)CCOCCCC(=O)N1CC(OC(C)C)C1
InChIInChI=1S/C15H29NO3/c1-12(2)7-9-18-8-5-6-15(17)16-10-14(11-16)19-13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyVCZPCGMAVIKDSM-UHFFFAOYSA-N
XLogP2.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-(3-methylbutoxy)-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one?
The IUPAC name of 4-(3-methylbutoxy)-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one (CID 169316947) is 4-(3-methylbutoxy)-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one.
What is the SMILES notation for 4-(3-methylbutoxy)-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one?
The canonical SMILES for 4-(3-methylbutoxy)-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one is CC(C)CCOCCCC(=O)N1CC(OC(C)C)C1.
What is the InChIKey of 4-(3-methylbutoxy)-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one?
The InChIKey is VCZPCGMAVIKDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-12(2)7-9-18-8-5-6-15(17)16-10-14(11-16)19-13(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of 4-(3-methylbutoxy)-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one?
4-(3-methylbutoxy)-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one has a molecular weight of 271.40 g/mol, XLogP of 2.47, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one is sourced from PubChem (CID 169316947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).