3-pentan-3-yloxane

C10H20O — CID 15620798

IUPAC3-pentan-3-yloxane
SMILESCCC(CC)C1CCCOC1
InChIInChI=1S/C10H20O/c1-3-9(4-2)10-6-5-7-11-8-10/h9-10H,3-8H2,1-2H3
InChIKeyRQNIYVKGPMQBEV-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.85
Rot. Bonds3

About 3-pentan-3-yloxane

3-pentan-3-yloxane (PubChem CID 15620798) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-pentan-3-yloxane.

Molecular Properties

Compound Name3-pentan-3-yloxane
PubChem CID15620798
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name3-pentan-3-yloxane
SMILESCCC(CC)C1CCCOC1
InChIInChI=1S/C10H20O/c1-3-9(4-2)10-6-5-7-11-8-10/h9-10H,3-8H2,1-2H3
InChIKeyRQNIYVKGPMQBEV-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-[(3S)-oxan-3-yl]propan-1-amine
CID 96636720
CID 59269410
CID 59269410
3-(oxan-3-yl)pentan-2-ol
CID 107137335
2-amino-1-(oxan-3-yl)butan-1-ol
CID 63737699
2-(oxan-3-yl)butanoic acid
CID 82411862
3-(oxan-3-yl)pentan-2-one
CID 107135367
ethane;3-propan-2-yloxane
CID 143985480
(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700
2-[hydroxy(oxan-3-yl)methyl]butanoic acid
CID 63740789
[3-ethyl-1-(oxan-3-yl)pentyl]hydrazine
CID 105230093
bis(oxan-3-yl)methanamine
CID 107136437
2-(oxan-3-yl)pentan-3-one
CID 107135382

Frequently Asked Questions

What is the IUPAC name of 3-pentan-3-yloxane?
The IUPAC name of 3-pentan-3-yloxane (CID 15620798) is 3-pentan-3-yloxane.
What is the SMILES notation for 3-pentan-3-yloxane?
The canonical SMILES for 3-pentan-3-yloxane is CCC(CC)C1CCCOC1.
What is the InChIKey of 3-pentan-3-yloxane?
The InChIKey is RQNIYVKGPMQBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-3-9(4-2)10-6-5-7-11-8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-pentan-3-yloxane?
3-pentan-3-yloxane has a molecular weight of 156.27 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-3-yloxane is sourced from PubChem (CID 15620798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).