4-methyloxane;propane

C9H20O — CID 143100648

IUPAC4-methyloxane;propane
SMILESCC1CCOCC1.CCC
InChIInChI=1S/C6H12O.C3H8/c1-6-2-4-7-5-3-6;1-3-2/h6H,2-5H2,1H3;3H2,1-2H3
InChIKeyILCYJWRTRQLQIC-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.85
Rot. Bonds

About 4-methyloxane;propane

4-methyloxane;propane (PubChem CID 143100648) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 4-methyloxane;propane.

Molecular Properties

Compound Name4-methyloxane;propane
PubChem CID143100648
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name4-methyloxane;propane
SMILESCC1CCOCC1.CCC
InChIInChI=1S/C6H12O.C3H8/c1-6-2-4-7-5-3-6;1-3-2/h6H,2-5H2,1H3;3H2,1-2H3
InChIKeyILCYJWRTRQLQIC-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydro-4-methyl-2H-pyran
CID 78446
Tetrahydro-3-methyl-2H-pyran
CID 117721
2-Fluoro-4-methyltetrahydropyran
CID 129723629
2-Methylpropyl pentyl ether
CID 18988496
Iso-pentoxypentane
CID 20082127
(2-Ethyl-1-butyl) ether
CID 524831
(R,S)-3-Methyl-tetrahydro-pyran
CID 58394480
4-tert-butyltetrahydro-2H-pyran
CID 13451149
4-Isopropyltetrahydropyran
CID 18713057
4-Ethyloxane
CID 21482444
1-(2-Methylbut-oxy)-pentane
CID 54075160
Di(3-methylpentyl) ether
CID 57311152

Frequently Asked Questions

What is the IUPAC name of 4-methyloxane;propane?
The IUPAC name of 4-methyloxane;propane (CID 143100648) is 4-methyloxane;propane.
What is the SMILES notation for 4-methyloxane;propane?
The canonical SMILES for 4-methyloxane;propane is CC1CCOCC1.CCC.
What is the InChIKey of 4-methyloxane;propane?
The InChIKey is ILCYJWRTRQLQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C3H8/c1-6-2-4-7-5-3-6;1-3-2/h6H,2-5H2,1H3;3H2,1-2H3.
What are the key properties of 4-methyloxane;propane?
4-methyloxane;propane has a molecular weight of 144.26 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyloxane;propane is sourced from PubChem (CID 143100648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).