4-methyloxane

C6H11O+ — CID 91181599

IUPAC4-methyloxane
SMILES[CH2+]C1CCOCC1
InChIInChI=1S/C6H11O/c1-6-2-4-7-5-3-6/h6H,1-5H2/q+1
InChIKeyDEKMAFPTGNEXMY-UHFFFAOYSA-N
MW99.15 g/mol
LogP1.25
Rot. Bonds

About 4-methyloxane

4-methyloxane (PubChem CID 91181599) has the molecular formula C6H11O+ and a molecular weight of 99.15 g/mol. Its IUPAC name is 4-methyloxane.

Molecular Properties

Compound Name4-methyloxane
PubChem CID91181599
Molecular FormulaC6H11O+
Molecular Weight99.15 g/mol
Exact Mass99.08
IUPAC Name4-methyloxane
SMILES[CH2+]C1CCOCC1
InChIInChI=1S/C6H11O/c1-6-2-4-7-5-3-6/h6H,1-5H2/q+1
InChIKeyDEKMAFPTGNEXMY-UHFFFAOYSA-N
XLogP1.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.15
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-(oxan-4-yl)hydroxylamine
CID 82687656
oxan-4-amine;pentakis(yttrium)
CID 158916020
ethane;4-methyloxane;3-methyloxolane
CID 170734292
5,9-dioxa-2-azabicyclo[6.2.0]decane
CID 122672123
[(3S)-oxolan-3-yl]azanium
CID 40602812
(3S)-3-methyloxolane
CID 7857636
magnesium;4-methanidyloxane;bromide
CID 87850034
(3S)-3-chlorooxolane
CID 86312343
cyclohexane;4-methyloxane
CID 144563977
methanamine;4-methyloxane
CID 139388754
1,4-dioxane
CID 161483686
18-(1,4,7,10,13,16-hexaoxacyclononadec-18-yl)-1,4,7,10,13,16-hexaoxacyclononadecane
CID 560657

Frequently Asked Questions

What is the IUPAC name of 4-methyloxane?
The IUPAC name of 4-methyloxane (CID 91181599) is 4-methyloxane.
What is the SMILES notation for 4-methyloxane?
The canonical SMILES for 4-methyloxane is [CH2+]C1CCOCC1.
What is the InChIKey of 4-methyloxane?
The InChIKey is DEKMAFPTGNEXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O/c1-6-2-4-7-5-3-6/h6H,1-5H2/q+1.
What are the key properties of 4-methyloxane?
4-methyloxane has a molecular weight of 99.15 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyloxane is sourced from PubChem (CID 91181599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).