ethane;2-ethyl-3-methyloxane

C10H22O — CID 166536348

IUPACethane;2-ethyl-3-methyloxane
SMILESCC.CCC1OCCCC1C
InChIInChI=1S/C8H16O.C2H6/c1-3-8-7(2)5-4-6-9-8;1-2/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyYZVFVDDMKLVLPJ-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.24
Rot. Bonds1

About ethane;2-ethyl-3-methyloxane

ethane;2-ethyl-3-methyloxane (PubChem CID 166536348) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is ethane;2-ethyl-3-methyloxane.

Molecular Properties

Compound Nameethane;2-ethyl-3-methyloxane
PubChem CID166536348
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Nameethane;2-ethyl-3-methyloxane
SMILESCC.CCC1OCCCC1C
InChIInChI=1S/C8H16O.C2H6/c1-3-8-7(2)5-4-6-9-8;1-2/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyYZVFVDDMKLVLPJ-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-3-methyloxane?
The IUPAC name of ethane;2-ethyl-3-methyloxane (CID 166536348) is ethane;2-ethyl-3-methyloxane.
What is the SMILES notation for ethane;2-ethyl-3-methyloxane?
The canonical SMILES for ethane;2-ethyl-3-methyloxane is CC.CCC1OCCCC1C.
What is the InChIKey of ethane;2-ethyl-3-methyloxane?
The InChIKey is YZVFVDDMKLVLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C2H6/c1-3-8-7(2)5-4-6-9-8;1-2/h7-8H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;2-ethyl-3-methyloxane?
ethane;2-ethyl-3-methyloxane has a molecular weight of 158.28 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-3-methyloxane is sourced from PubChem (CID 166536348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).