ethane;4-methyloxane;3-methyloxolane

C15H34O2 — CID 170734292

IUPACethane;4-methyloxane;3-methyloxolane
SMILESCC.CC.CC1CCOC1.CC1CCOCC1
InChIInChI=1S/C6H12O.C5H10O.2C2H6/c1-6-2-4-7-5-3-6;1-5-2-3-6-4-5;2*1-2/h6H,2-5H2,1H3;5H,2-4H2,1H3;2*1-2H3
InChIKeyUUJOLAVMWLRUOS-UHFFFAOYSA-N
MW246.43 g/mol
LogP4.53
Rot. Bonds

About ethane;4-methyloxane;3-methyloxolane

ethane;4-methyloxane;3-methyloxolane (PubChem CID 170734292) has the molecular formula C15H34O2 and a molecular weight of 246.43 g/mol. Its IUPAC name is ethane;4-methyloxane;3-methyloxolane.

Molecular Properties

Compound Nameethane;4-methyloxane;3-methyloxolane
PubChem CID170734292
Molecular FormulaC15H34O2
Molecular Weight246.43 g/mol
Exact Mass246.26
IUPAC Nameethane;4-methyloxane;3-methyloxolane
SMILESCC.CC.CC1CCOC1.CC1CCOCC1
InChIInChI=1S/C6H12O.C5H10O.2C2H6/c1-6-2-4-7-5-3-6;1-5-2-3-6-4-5;2*1-2/h6H,2-5H2,1H3;5H,2-4H2,1H3;2*1-2H3
InChIKeyUUJOLAVMWLRUOS-UHFFFAOYSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.43
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-methyloxolane
CID 7857636
methane;methylcyclobutane;3-methyloxolane
CID 160852925
3-methyloxolane;silyloxysilane
CID 173163882
ethane;methane;4-methyloxane;molecular hydrogen
CID 143791951
cyclohexane;4-methyloxane
CID 144563977
methanamine;4-methyloxane
CID 139388754
ethane;ethene;methanol;4-methyloxane
CID 143101227
3-methyloxane;3-methyloxetane;3-methyloxolane
CID 159375413
4-tert-butyloxane;3-tert-butyloxetane;ethane;(3R)-3-methyloxolane;(3S)-3-methyloxolane
CID 162123422
ethane;(3S)-3-methyloxane;sulfane
CID 158056662
3-methyloxane;oxolane
CID 139878979
methylcyclohexane;3-methyloxane
CID 144617317

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyloxane;3-methyloxolane?
The IUPAC name of ethane;4-methyloxane;3-methyloxolane (CID 170734292) is ethane;4-methyloxane;3-methyloxolane.
What is the SMILES notation for ethane;4-methyloxane;3-methyloxolane?
The canonical SMILES for ethane;4-methyloxane;3-methyloxolane is CC.CC.CC1CCOC1.CC1CCOCC1.
What is the InChIKey of ethane;4-methyloxane;3-methyloxolane?
The InChIKey is UUJOLAVMWLRUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C5H10O.2C2H6/c1-6-2-4-7-5-3-6;1-5-2-3-6-4-5;2*1-2/h6H,2-5H2,1H3;5H,2-4H2,1H3;2*1-2H3.
What are the key properties of ethane;4-methyloxane;3-methyloxolane?
ethane;4-methyloxane;3-methyloxolane has a molecular weight of 246.43 g/mol, XLogP of 4.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyloxane;3-methyloxolane is sourced from PubChem (CID 170734292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).