3-methyloxane;oxolane

C10H20O2 — CID 139878979

IUPAC3-methyloxane;oxolane
SMILESC1CCOC1.CC1CCCOC1
InChIInChI=1S/C6H12O.C4H8O/c1-6-3-2-4-7-5-6;1-2-4-5-3-1/h6H,2-5H2,1H3;1-4H2
InChIKeyJLZDSZUMTCTENX-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds

About 3-methyloxane;oxolane

3-methyloxane;oxolane (PubChem CID 139878979) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-methyloxane;oxolane.

Molecular Properties

Compound Name3-methyloxane;oxolane
PubChem CID139878979
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-methyloxane;oxolane
SMILESC1CCOC1.CC1CCCOC1
InChIInChI=1S/C6H12O.C4H8O/c1-6-3-2-4-7-5-6;1-2-4-5-3-1/h6H,2-5H2,1H3;1-4H2
InChIKeyJLZDSZUMTCTENX-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(3S)-3-methyloxane;sulfane
CID 158056662
methylcyclohexane;3-methyloxane
CID 144617317
3-methyloxane;3-methyloxetane;3-methyloxolane
CID 159375413
methane;methylcyclobutane;3-methyloxolane
CID 160852925
3-methyloxane;1-methylpiperidine
CID 142590694
(3S)-3-methyloxolane
CID 7857636
ethane;methylcyclohexane;oxane
CID 143182173
ethane;4-methyloxane;3-methyloxolane
CID 170734292
ethane;3-methyloxane;2-methylpyrimidine
CID 167576171
2-methyloxolane;oxolane
CID 69253648
3-methyloxolane;silyloxysilane
CID 173163882
18,31-dibenzyl-15,34-dimethyl-1,4,7,10,13,22,27-heptaoxa-18,31-diazacycloheptatriacontane
CID 100938959

Frequently Asked Questions

What is the IUPAC name of 3-methyloxane;oxolane?
The IUPAC name of 3-methyloxane;oxolane (CID 139878979) is 3-methyloxane;oxolane.
What is the SMILES notation for 3-methyloxane;oxolane?
The canonical SMILES for 3-methyloxane;oxolane is C1CCOC1.CC1CCCOC1.
What is the InChIKey of 3-methyloxane;oxolane?
The InChIKey is JLZDSZUMTCTENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C4H8O/c1-6-3-2-4-7-5-6;1-2-4-5-3-1/h6H,2-5H2,1H3;1-4H2.
What are the key properties of 3-methyloxane;oxolane?
3-methyloxane;oxolane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyloxane;oxolane is sourced from PubChem (CID 139878979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).