4-methyl-3-[1-(oxolan-2-yl)ethyl]oxane

C12H22O2 — CID 57291053

IUPAC4-methyl-3-[1-(oxolan-2-yl)ethyl]oxane
SMILESCC1CCOCC1C(C)C1CCCO1
InChIInChI=1S/C12H22O2/c1-9-5-7-13-8-11(9)10(2)12-4-3-6-14-12/h9-12H,3-8H2,1-2H3
InChIKeyMKYYDWXAEDOJFX-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.47
Rot. Bonds2

About 4-methyl-3-[1-(oxolan-2-yl)ethyl]oxane

4-methyl-3-[1-(oxolan-2-yl)ethyl]oxane (PubChem CID 57291053) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-methyl-3-[1-(oxolan-2-yl)ethyl]oxane.

Molecular Properties

Compound Name4-methyl-3-[1-(oxolan-2-yl)ethyl]oxane
PubChem CID57291053
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name4-methyl-3-[1-(oxolan-2-yl)ethyl]oxane
SMILESCC1CCOCC1C(C)C1CCCO1
InChIInChI=1S/C12H22O2/c1-9-5-7-13-8-11(9)10(2)12-4-3-6-14-12/h9-12H,3-8H2,1-2H3
InChIKeyMKYYDWXAEDOJFX-UHFFFAOYSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxolan-2-yl)propane-1,2-diol
CID 142778097
3-methyl-N-propan-2-yloxan-4-amine
CID 71633062
oxolan-2-yl(oxolan-3-ylmethoxy)methanol
CID 91393732
(3S,4S)-3,4-di(propan-2-yl)oxane
CID 121421969
2-(3,3-dimethylbutan-2-yl)oxolane
CID 58394782
4-hydroxy-3-methyl-4-(oxolan-2-yl)butan-2-one
CID 18338969
2-(3-methyloxan-4-yl)propan-1-amine
CID 83905272
(2R)-2-(dimethoxymethyl)oxolane
CID 93340923
(1S)-1-(oxolan-2-yl)propan-1-ol
CID 67355523
2-(1-hydroperoxyethyl)oxolane
CID 59270511
(1R)-1-[(2S)-oxolan-2-yl]propan-1-ol
CID 67355521
(2-methylcyclopropyl)-(oxan-3-yl)methanol
CID 107136124

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[1-(oxolan-2-yl)ethyl]oxane?
The IUPAC name of 4-methyl-3-[1-(oxolan-2-yl)ethyl]oxane (CID 57291053) is 4-methyl-3-[1-(oxolan-2-yl)ethyl]oxane.
What is the SMILES notation for 4-methyl-3-[1-(oxolan-2-yl)ethyl]oxane?
The canonical SMILES for 4-methyl-3-[1-(oxolan-2-yl)ethyl]oxane is CC1CCOCC1C(C)C1CCCO1.
What is the InChIKey of 4-methyl-3-[1-(oxolan-2-yl)ethyl]oxane?
The InChIKey is MKYYDWXAEDOJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-9-5-7-13-8-11(9)10(2)12-4-3-6-14-12/h9-12H,3-8H2,1-2H3.
What are the key properties of 4-methyl-3-[1-(oxolan-2-yl)ethyl]oxane?
4-methyl-3-[1-(oxolan-2-yl)ethyl]oxane has a molecular weight of 198.31 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[1-(oxolan-2-yl)ethyl]oxane is sourced from PubChem (CID 57291053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).