2,5-dimethyl-2-(oxolan-2-yl)oxolane

C10H18O2 — CID 567156

IUPAC2,5-dimethyl-2-(oxolan-2-yl)oxolane
SMILESCC1CCC(C)(C2CCCO2)O1
InChIInChI=1S/C10H18O2/c1-8-5-6-10(2,12-8)9-4-3-7-11-9/h8-9H,3-7H2,1-2H3
InChIKeyPXUOEQRALJWORR-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.12
Rot. Bonds1

About 2,5-dimethyl-2-(oxolan-2-yl)oxolane

2,5-dimethyl-2-(oxolan-2-yl)oxolane (PubChem CID 567156) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2,5-dimethyl-2-(oxolan-2-yl)oxolane.

Molecular Properties

Compound Name2,5-dimethyl-2-(oxolan-2-yl)oxolane
PubChem CID567156
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2,5-dimethyl-2-(oxolan-2-yl)oxolane
SMILESCC1CCC(C)(C2CCCO2)O1
InChIInChI=1S/C10H18O2/c1-8-5-6-10(2,12-8)9-4-3-7-11-9/h8-9H,3-7H2,1-2H3
InChIKeyPXUOEQRALJWORR-UHFFFAOYSA-N
XLogP2.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8,8-Diethyl-1,7-dioxaspiro[4.4]nonane
CID 135011811
2,5-Dimethyl-2-(2-methyloxolan-2-yl)oxolane
CID 567170
5-Methyl-2-(2-methyl-2-tetrahydrofuryl)tetrahydrofuran
CID 558958
4-Butyl-2-(methoxymethyl)oxolane
CID 140190805
Ethane;2-(oxolan-2-yl)oxolane
CID 141769888
(5R,6S)-6-methoxy-1-oxaspiro[4.5]decane
CID 14905700
1-[5-[5-(Hydroxymethyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethanol
CID 90866000
2-[(2R,5S)-5-[(2S,5S)-5-[(1S)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol
CID 134975174
2-[(2R,5S)-5-[(2S,5R)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol
CID 134975215
(5S,6S)-6-methoxy-1-oxaspiro[4.5]decane
CID 134995727
2-[(2R,5S)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol
CID 11118239
8,8-Diethyl-2,2-dimethyl-1,7-dioxaspiro[4.4]nonane
CID 11390222

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-(oxolan-2-yl)oxolane?
The IUPAC name of 2,5-dimethyl-2-(oxolan-2-yl)oxolane (CID 567156) is 2,5-dimethyl-2-(oxolan-2-yl)oxolane.
What is the SMILES notation for 2,5-dimethyl-2-(oxolan-2-yl)oxolane?
The canonical SMILES for 2,5-dimethyl-2-(oxolan-2-yl)oxolane is CC1CCC(C)(C2CCCO2)O1.
What is the InChIKey of 2,5-dimethyl-2-(oxolan-2-yl)oxolane?
The InChIKey is PXUOEQRALJWORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8-5-6-10(2,12-8)9-4-3-7-11-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2,5-dimethyl-2-(oxolan-2-yl)oxolane?
2,5-dimethyl-2-(oxolan-2-yl)oxolane has a molecular weight of 170.25 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-(oxolan-2-yl)oxolane is sourced from PubChem (CID 567156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).