3-(1-methoxy-2-methylpropyl)oxolane

C9H18O2 — CID 164918486

IUPAC3-(1-methoxy-2-methylpropyl)oxolane
SMILESCOC(C(C)C)C1CCOC1
InChIInChI=1S/C9H18O2/c1-7(2)9(10-3)8-4-5-11-6-8/h7-9H,4-6H2,1-3H3
InChIKeyRCXRIKRGBQFIFG-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.69
Rot. Bonds3

About 3-(1-methoxy-2-methylpropyl)oxolane

3-(1-methoxy-2-methylpropyl)oxolane (PubChem CID 164918486) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-(1-methoxy-2-methylpropyl)oxolane.

Molecular Properties

Compound Name3-(1-methoxy-2-methylpropyl)oxolane
PubChem CID164918486
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name3-(1-methoxy-2-methylpropyl)oxolane
SMILESCOC(C(C)C)C1CCOC1
InChIInChI=1S/C9H18O2/c1-7(2)9(10-3)8-4-5-11-6-8/h7-9H,4-6H2,1-3H3
InChIKeyRCXRIKRGBQFIFG-UHFFFAOYSA-N
XLogP1.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(1R)-1-methoxyethyl]oxolane
CID 178131318
3-(3-methylbutan-2-yl)oxolane
CID 123661278
3-[(2S)-3-methylbutan-2-yl]oxolane
CID 166765635
[2-methoxy-1-(oxolan-3-yl)propyl]hydrazine
CID 105246847
(1R)-1-[(3S)-oxolan-3-yl]ethanamine
CID 95396571
(1S)-1-[(3R)-oxolan-3-yl]ethanol
CID 95763789
(2R)-2-methoxy-2-[(3S)-oxolan-3-yl]acetaldehyde
CID 125041775
[2-cyclohexyl-2-methoxy-1-(oxolan-3-yl)ethyl]hydrazine
CID 105278591
3-(1-methoxy-3-methylpentyl)oxolane
CID 177151433
4-methoxy-1-(oxolan-3-yl)pentan-1-ol
CID 105097696
[2-methyl-1-(oxan-3-yl)propyl] formate
CID 175408553
2-methoxy-2-(oxolan-3-yl)ethanesulfonyl fluoride
CID 165459370

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxy-2-methylpropyl)oxolane?
The IUPAC name of 3-(1-methoxy-2-methylpropyl)oxolane (CID 164918486) is 3-(1-methoxy-2-methylpropyl)oxolane.
What is the SMILES notation for 3-(1-methoxy-2-methylpropyl)oxolane?
The canonical SMILES for 3-(1-methoxy-2-methylpropyl)oxolane is COC(C(C)C)C1CCOC1.
What is the InChIKey of 3-(1-methoxy-2-methylpropyl)oxolane?
The InChIKey is RCXRIKRGBQFIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-7(2)9(10-3)8-4-5-11-6-8/h7-9H,4-6H2,1-3H3.
What are the key properties of 3-(1-methoxy-2-methylpropyl)oxolane?
3-(1-methoxy-2-methylpropyl)oxolane has a molecular weight of 158.24 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxy-2-methylpropyl)oxolane is sourced from PubChem (CID 164918486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).