1-(6-methoxyoxan-2-yl)butan-2-one

C10H18O3 — CID 23514766

IUPAC1-(6-methoxyoxan-2-yl)butan-2-one
SMILESCCC(=O)CC1CCCC(OC)O1
InChIInChI=1S/C10H18O3/c1-3-8(11)7-9-5-4-6-10(12-2)13-9/h9-10H,3-7H2,1-2H3
InChIKeyAHFYHQSEWCQAAR-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.90
Rot. Bonds4

About 1-(6-methoxyoxan-2-yl)butan-2-one

1-(6-methoxyoxan-2-yl)butan-2-one (PubChem CID 23514766) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(6-methoxyoxan-2-yl)butan-2-one.

Molecular Properties

Compound Name1-(6-methoxyoxan-2-yl)butan-2-one
PubChem CID23514766
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-(6-methoxyoxan-2-yl)butan-2-one
SMILESCCC(=O)CC1CCCC(OC)O1
InChIInChI=1S/C10H18O3/c1-3-8(11)7-9-5-4-6-10(12-2)13-9/h9-10H,3-7H2,1-2H3
InChIKeyAHFYHQSEWCQAAR-UHFFFAOYSA-N
XLogP1.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxyoxan-2-yl)butan-2-one?
The IUPAC name of 1-(6-methoxyoxan-2-yl)butan-2-one (CID 23514766) is 1-(6-methoxyoxan-2-yl)butan-2-one.
What is the SMILES notation for 1-(6-methoxyoxan-2-yl)butan-2-one?
The canonical SMILES for 1-(6-methoxyoxan-2-yl)butan-2-one is CCC(=O)CC1CCCC(OC)O1.
What is the InChIKey of 1-(6-methoxyoxan-2-yl)butan-2-one?
The InChIKey is AHFYHQSEWCQAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-8(11)7-9-5-4-6-10(12-2)13-9/h9-10H,3-7H2,1-2H3.
What are the key properties of 1-(6-methoxyoxan-2-yl)butan-2-one?
1-(6-methoxyoxan-2-yl)butan-2-one has a molecular weight of 186.25 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxyoxan-2-yl)butan-2-one is sourced from PubChem (CID 23514766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).