3-methyloxane;3-methyloxetane;3-methyloxolane

C15H30O3 — CID 159375413

IUPAC3-methyloxane;3-methyloxetane;3-methyloxolane
SMILESCC1CCCOC1.CC1CCOC1.CC1COC1
InChIInChI=1S/C6H12O.C5H10O.C4H8O/c1-6-3-2-4-7-5-6;1-5-2-3-6-4-5;1-4-2-5-3-4/h6H,2-5H2,1H3;5H,2-4H2,1H3;4H,2-3H2,1H3
InChIKeyLKGDRPVMMVPGCM-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.13
Rot. Bonds

About 3-methyloxane;3-methyloxetane;3-methyloxolane

3-methyloxane;3-methyloxetane;3-methyloxolane (PubChem CID 159375413) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is 3-methyloxane;3-methyloxetane;3-methyloxolane.

Molecular Properties

Compound Name3-methyloxane;3-methyloxetane;3-methyloxolane
PubChem CID159375413
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name3-methyloxane;3-methyloxetane;3-methyloxolane
SMILESCC1CCCOC1.CC1CCOC1.CC1COC1
InChIInChI=1S/C6H12O.C5H10O.C4H8O/c1-6-3-2-4-7-5-6;1-5-2-3-6-4-5;1-4-2-5-3-4/h6H,2-5H2,1H3;5H,2-4H2,1H3;4H,2-3H2,1H3
InChIKeyLKGDRPVMMVPGCM-UHFFFAOYSA-N
XLogP3.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyloxane;3-methyloxetane;3-methyloxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methyloxane;oxolane
CID 139878979
4-Methyloxane;3-methyloxolane
CID 143592122
3,4-Dimethyloxane;3,4-dimethyloxolane
CID 144101454
Ethane;4-ethyloxane;3-methyloxolane
CID 145329795
4-Methyloxane;oxolane
CID 146189763
4-Ethyloxane;3-ethyloxolane
CID 154645009
Ethane;3-methyloxolane;oxane
CID 157145754
4-Propan-2-yloxane;3-propan-2-yloxolane
CID 157371501
4-Propan-2-yloxane;3-propan-2-yloxetane
CID 157626558
3-Ethyloxetane;4-methyloxane
CID 158808125
(3R)-3-methyloxane;(3R)-3-methyloxolane
CID 159772369
4-Methyloxane;3-methyloxetane
CID 160223708

Frequently Asked Questions

What is the IUPAC name of 3-methyloxane;3-methyloxetane;3-methyloxolane?
The IUPAC name of 3-methyloxane;3-methyloxetane;3-methyloxolane (CID 159375413) is 3-methyloxane;3-methyloxetane;3-methyloxolane.
What is the SMILES notation for 3-methyloxane;3-methyloxetane;3-methyloxolane?
The canonical SMILES for 3-methyloxane;3-methyloxetane;3-methyloxolane is CC1CCCOC1.CC1CCOC1.CC1COC1.
What is the InChIKey of 3-methyloxane;3-methyloxetane;3-methyloxolane?
The InChIKey is LKGDRPVMMVPGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C5H10O.C4H8O/c1-6-3-2-4-7-5-6;1-5-2-3-6-4-5;1-4-2-5-3-4/h6H,2-5H2,1H3;5H,2-4H2,1H3;4H,2-3H2,1H3.
What are the key properties of 3-methyloxane;3-methyloxetane;3-methyloxolane?
3-methyloxane;3-methyloxetane;3-methyloxolane has a molecular weight of 258.40 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyloxane;3-methyloxetane;3-methyloxolane is sourced from PubChem (CID 159375413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).