ethane;1-(4-methyloxan-4-yl)ethanone

C10H20O2 — CID 143064162

IUPACethane;1-(4-methyloxan-4-yl)ethanone
SMILESCC.CC(=O)C1(C)CCOCC1
InChIInChI=1S/C8H14O2.C2H6/c1-7(9)8(2)3-5-10-6-4-8;1-2/h3-6H2,1-2H3;1-2H3
InChIKeyHYXKFYJHQSHWQH-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.42
Rot. Bonds1

About ethane;1-(4-methyloxan-4-yl)ethanone

ethane;1-(4-methyloxan-4-yl)ethanone (PubChem CID 143064162) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is ethane;1-(4-methyloxan-4-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(4-methyloxan-4-yl)ethanone
PubChem CID143064162
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Nameethane;1-(4-methyloxan-4-yl)ethanone
SMILESCC.CC(=O)C1(C)CCOCC1
InChIInChI=1S/C8H14O2.C2H6/c1-7(9)8(2)3-5-10-6-4-8;1-2/h3-6H2,1-2H3;1-2H3
InChIKeyHYXKFYJHQSHWQH-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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-(4-methyloxan-4-yl)ethanone?
The IUPAC name of ethane;1-(4-methyloxan-4-yl)ethanone (CID 143064162) is ethane;1-(4-methyloxan-4-yl)ethanone.
What is the SMILES notation for ethane;1-(4-methyloxan-4-yl)ethanone?
The canonical SMILES for ethane;1-(4-methyloxan-4-yl)ethanone is CC.CC(=O)C1(C)CCOCC1.
What is the InChIKey of ethane;1-(4-methyloxan-4-yl)ethanone?
The InChIKey is HYXKFYJHQSHWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C2H6/c1-7(9)8(2)3-5-10-6-4-8;1-2/h3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(4-methyloxan-4-yl)ethanone?
ethane;1-(4-methyloxan-4-yl)ethanone has a molecular weight of 172.27 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methyloxan-4-yl)ethanone is sourced from PubChem (CID 143064162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).