2-methoxy-1-(oxan-3-yl)butan-1-one

C10H18O3 — CID 107136005

IUPAC2-methoxy-1-(oxan-3-yl)butan-1-one
SMILESCCC(OC)C(=O)C1CCCOC1
InChIInChI=1S/C10H18O3/c1-3-9(12-2)10(11)8-5-4-6-13-7-8/h8-9H,3-7H2,1-2H3
InChIKeyDHXLONCCRCBCLB-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.41
Rot. Bonds4

About 2-methoxy-1-(oxan-3-yl)butan-1-one

2-methoxy-1-(oxan-3-yl)butan-1-one (PubChem CID 107136005) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-methoxy-1-(oxan-3-yl)butan-1-one.

Molecular Properties

Compound Name2-methoxy-1-(oxan-3-yl)butan-1-one
PubChem CID107136005
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-methoxy-1-(oxan-3-yl)butan-1-one
SMILESCCC(OC)C(=O)C1CCCOC1
InChIInChI=1S/C10H18O3/c1-3-9(12-2)10(11)8-5-4-6-13-7-8/h8-9H,3-7H2,1-2H3
InChIKeyDHXLONCCRCBCLB-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diethoxy-1-(oxan-3-yl)ethanone
CID 107135944
2-hydroxy-1-(oxan-3-yl)pentan-1-one
CID 107136058
2-methoxy-3-(oxane-3-carbonylamino)propanoic acid
CID 106107266
1-(oxan-3-yl)-2-phenylbutan-1-one
CID 107138534
methyl (3R)-oxane-3-carboxylate
CID 86306897
2-cyclopropyl-1-(oxan-3-yl)propan-1-one
CID 107138628
2-ethyl-2-methoxy-1-(oxan-3-yl)butan-1-one
CID 107136019
1-cyclobutyl-2-methoxypentan-1-one
CID 116708018
oxane-3-carbonyl oxane-3-carboperoxoate
CID 23083566
1-(oxan-3-yl)pentan-1-one
CID 65332332
methyl 2-amino-4-(oxan-3-yl)-4-oxobutanoate
CID 105468455
tert-butyl 2-methyl-3-(oxan-3-yl)-3-oxopropanoate
CID 66339260

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(oxan-3-yl)butan-1-one?
The IUPAC name of 2-methoxy-1-(oxan-3-yl)butan-1-one (CID 107136005) is 2-methoxy-1-(oxan-3-yl)butan-1-one.
What is the SMILES notation for 2-methoxy-1-(oxan-3-yl)butan-1-one?
The canonical SMILES for 2-methoxy-1-(oxan-3-yl)butan-1-one is CCC(OC)C(=O)C1CCCOC1.
What is the InChIKey of 2-methoxy-1-(oxan-3-yl)butan-1-one?
The InChIKey is DHXLONCCRCBCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-9(12-2)10(11)8-5-4-6-13-7-8/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-methoxy-1-(oxan-3-yl)butan-1-one?
2-methoxy-1-(oxan-3-yl)butan-1-one has a molecular weight of 186.25 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(oxan-3-yl)butan-1-one is sourced from PubChem (CID 107136005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).