2-methyloxane;propane

C9H20O — CID 171074580

IUPAC2-methyloxane;propane
SMILESCC1CCCCO1.CCC
InChIInChI=1S/C6H12O.C3H8/c1-6-4-2-3-5-7-6;1-3-2/h6H,2-5H2,1H3;3H2,1-2H3
InChIKeyLAUWOKKIKFZHDV-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.99
Rot. Bonds

About 2-methyloxane;propane

2-methyloxane;propane (PubChem CID 171074580) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 2-methyloxane;propane.

Molecular Properties

Compound Name2-methyloxane;propane
PubChem CID171074580
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name2-methyloxane;propane
SMILESCC1CCCCO1.CCC
InChIInChI=1S/C6H12O.C3H8/c1-6-4-2-3-5-7-6;1-3-2/h6H,2-5H2,1H3;3H2,1-2H3
InChIKeyLAUWOKKIKFZHDV-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyloxane;propane?
The IUPAC name of 2-methyloxane;propane (CID 171074580) is 2-methyloxane;propane.
What is the SMILES notation for 2-methyloxane;propane?
The canonical SMILES for 2-methyloxane;propane is CC1CCCCO1.CCC.
What is the InChIKey of 2-methyloxane;propane?
The InChIKey is LAUWOKKIKFZHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C3H8/c1-6-4-2-3-5-7-6;1-3-2/h6H,2-5H2,1H3;3H2,1-2H3.
What are the key properties of 2-methyloxane;propane?
2-methyloxane;propane has a molecular weight of 144.26 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxane;propane is sourced from PubChem (CID 171074580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).