ethane;1-(oxan-4-yl)propan-2-one

C10H20O2 — CID 143522317

IUPACethane;1-(oxan-4-yl)propan-2-one
SMILESCC.CC(=O)CC1CCOCC1
InChIInChI=1S/C8H14O2.C2H6/c1-7(9)6-8-2-4-10-5-3-8;1-2/h8H,2-6H2,1H3;1-2H3
InChIKeyFEFAOOCUGVAOIX-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.42
Rot. Bonds2

About ethane;1-(oxan-4-yl)propan-2-one

ethane;1-(oxan-4-yl)propan-2-one (PubChem CID 143522317) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is ethane;1-(oxan-4-yl)propan-2-one.

Molecular Properties

Compound Nameethane;1-(oxan-4-yl)propan-2-one
PubChem CID143522317
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Nameethane;1-(oxan-4-yl)propan-2-one
SMILESCC.CC(=O)CC1CCOCC1
InChIInChI=1S/C8H14O2.C2H6/c1-7(9)6-8-2-4-10-5-3-8;1-2/h8H,2-6H2,1H3;1-2H3
InChIKeyFEFAOOCUGVAOIX-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(oxan-4-yl)propan-2-one?
The IUPAC name of ethane;1-(oxan-4-yl)propan-2-one (CID 143522317) is ethane;1-(oxan-4-yl)propan-2-one.
What is the SMILES notation for ethane;1-(oxan-4-yl)propan-2-one?
The canonical SMILES for ethane;1-(oxan-4-yl)propan-2-one is CC.CC(=O)CC1CCOCC1.
What is the InChIKey of ethane;1-(oxan-4-yl)propan-2-one?
The InChIKey is FEFAOOCUGVAOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C2H6/c1-7(9)6-8-2-4-10-5-3-8;1-2/h8H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;1-(oxan-4-yl)propan-2-one?
ethane;1-(oxan-4-yl)propan-2-one has a molecular weight of 172.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(oxan-4-yl)propan-2-one is sourced from PubChem (CID 143522317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).