3-ethyl-4-propan-2-yloxane

C10H20O — CID 22975330

IUPAC3-ethyl-4-propan-2-yloxane
SMILESCCC1COCCC1C(C)C
InChIInChI=1S/C10H20O/c1-4-9-7-11-6-5-10(9)8(2)3/h8-10H,4-7H2,1-3H3
InChIKeyUNMUEBWVXIOQON-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.71
Rot. Bonds2

About 3-ethyl-4-propan-2-yloxane

3-ethyl-4-propan-2-yloxane (PubChem CID 22975330) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-ethyl-4-propan-2-yloxane.

Molecular Properties

Compound Name3-ethyl-4-propan-2-yloxane
PubChem CID22975330
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name3-ethyl-4-propan-2-yloxane
SMILESCCC1COCCC1C(C)C
InChIInChI=1S/C10H20O/c1-4-9-7-11-6-5-10(9)8(2)3/h8-10H,4-7H2,1-3H3
InChIKeyUNMUEBWVXIOQON-UHFFFAOYSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-propan-2-yloxane?
The IUPAC name of 3-ethyl-4-propan-2-yloxane (CID 22975330) is 3-ethyl-4-propan-2-yloxane.
What is the SMILES notation for 3-ethyl-4-propan-2-yloxane?
The canonical SMILES for 3-ethyl-4-propan-2-yloxane is CCC1COCCC1C(C)C.
What is the InChIKey of 3-ethyl-4-propan-2-yloxane?
The InChIKey is UNMUEBWVXIOQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-4-9-7-11-6-5-10(9)8(2)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 3-ethyl-4-propan-2-yloxane?
3-ethyl-4-propan-2-yloxane has a molecular weight of 156.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-propan-2-yloxane is sourced from PubChem (CID 22975330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).