ethane;methane;4-methyloxane;molecular hydrogen

C9H24O — CID 143791951

IUPACethane;methane;4-methyloxane;molecular hydrogen
SMILESC.CC.CC1CCOCC1.[H][H]
InChIInChI=1S/C6H12O.C2H6.CH4.H2/c1-6-2-4-7-5-3-6;1-2;;/h6H,2-5H2,1H3;1-2H3;1H4;1H
InChIKeyOXRCVYGAKWCMIG-UHFFFAOYSA-N
MW148.29 g/mol
LogP3.34
Rot. Bonds

About ethane;methane;4-methyloxane;molecular hydrogen

ethane;methane;4-methyloxane;molecular hydrogen (PubChem CID 143791951) has the molecular formula C9H24O and a molecular weight of 148.29 g/mol. Its IUPAC name is ethane;methane;4-methyloxane;molecular hydrogen.

Molecular Properties

Compound Nameethane;methane;4-methyloxane;molecular hydrogen
PubChem CID143791951
Molecular FormulaC9H24O
Molecular Weight148.29 g/mol
Exact Mass148.18
IUPAC Nameethane;methane;4-methyloxane;molecular hydrogen
SMILESC.CC.CC1CCOCC1.[H][H]
InChIInChI=1S/C6H12O.C2H6.CH4.H2/c1-6-2-4-7-5-3-6;1-2;;/h6H,2-5H2,1H3;1-2H3;1H4;1H
InChIKeyOXRCVYGAKWCMIG-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.29
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(3S)-3-methyloxolane
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methane;methylcyclobutane;3-methyloxolane
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tetrakis(1,4-dimethylcyclohexane);methane;hydrofluoride;hydroiodide
CID 160985954
deuterium monohydride;ethane;methane;2-methylpropane;bis(4-propan-2-yloxane)
CID 165012201
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Frequently Asked Questions

What is the IUPAC name of ethane;methane;4-methyloxane;molecular hydrogen?
The IUPAC name of ethane;methane;4-methyloxane;molecular hydrogen (CID 143791951) is ethane;methane;4-methyloxane;molecular hydrogen.
What is the SMILES notation for ethane;methane;4-methyloxane;molecular hydrogen?
The canonical SMILES for ethane;methane;4-methyloxane;molecular hydrogen is C.CC.CC1CCOCC1.[H][H].
What is the InChIKey of ethane;methane;4-methyloxane;molecular hydrogen?
The InChIKey is OXRCVYGAKWCMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C2H6.CH4.H2/c1-6-2-4-7-5-3-6;1-2;;/h6H,2-5H2,1H3;1-2H3;1H4;1H.
What are the key properties of ethane;methane;4-methyloxane;molecular hydrogen?
ethane;methane;4-methyloxane;molecular hydrogen has a molecular weight of 148.29 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;4-methyloxane;molecular hydrogen is sourced from PubChem (CID 143791951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).