ethane;4-ethyloxane;3-methyloxolane

C14H30O2 — CID 145329795

IUPACethane;4-ethyloxane;3-methyloxolane
SMILESCC.CC1CCOC1.CCC1CCOCC1
InChIInChI=1S/C7H14O.C5H10O.C2H6/c1-2-7-3-5-8-6-4-7;1-5-2-3-6-4-5;1-2/h7H,2-6H2,1H3;5H,2-4H2,1H3;1-2H3
InChIKeyKBYYWZBMBUOOGD-UHFFFAOYSA-N
MW230.39 g/mol
LogP3.89
Rot. Bonds1

About ethane;4-ethyloxane;3-methyloxolane

ethane;4-ethyloxane;3-methyloxolane (PubChem CID 145329795) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is ethane;4-ethyloxane;3-methyloxolane.

Molecular Properties

Compound Nameethane;4-ethyloxane;3-methyloxolane
PubChem CID145329795
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Nameethane;4-ethyloxane;3-methyloxolane
SMILESCC.CC1CCOC1.CCC1CCOCC1
InChIInChI=1S/C7H14O.C5H10O.C2H6/c1-2-7-3-5-8-6-4-7;1-5-2-3-6-4-5;1-2/h7H,2-6H2,1H3;5H,2-4H2,1H3;1-2H3
InChIKeyKBYYWZBMBUOOGD-UHFFFAOYSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyloxane;3-methyloxolane?
The IUPAC name of ethane;4-ethyloxane;3-methyloxolane (CID 145329795) is ethane;4-ethyloxane;3-methyloxolane.
What is the SMILES notation for ethane;4-ethyloxane;3-methyloxolane?
The canonical SMILES for ethane;4-ethyloxane;3-methyloxolane is CC.CC1CCOC1.CCC1CCOCC1.
What is the InChIKey of ethane;4-ethyloxane;3-methyloxolane?
The InChIKey is KBYYWZBMBUOOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C5H10O.C2H6/c1-2-7-3-5-8-6-4-7;1-5-2-3-6-4-5;1-2/h7H,2-6H2,1H3;5H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;4-ethyloxane;3-methyloxolane?
ethane;4-ethyloxane;3-methyloxolane has a molecular weight of 230.39 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyloxane;3-methyloxolane is sourced from PubChem (CID 145329795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).