2,5-dimethyl-3-propan-2-yloxolane

C9H18O — CID 164557696

IUPAC2,5-dimethyl-3-propan-2-yloxolane
SMILESCC1CC(C(C)C)C(C)O1
InChIInChI=1S/C9H18O/c1-6(2)9-5-7(3)10-8(9)4/h6-9H,5H2,1-4H3
InChIKeyFRXJQJIZNYEZGL-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.46
Rot. Bonds1

About 2,5-dimethyl-3-propan-2-yloxolane

2,5-dimethyl-3-propan-2-yloxolane (PubChem CID 164557696) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2,5-dimethyl-3-propan-2-yloxolane.

Molecular Properties

Compound Name2,5-dimethyl-3-propan-2-yloxolane
PubChem CID164557696
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2,5-dimethyl-3-propan-2-yloxolane
SMILESCC1CC(C(C)C)C(C)O1
InChIInChI=1S/C9H18O/c1-6(2)9-5-7(3)10-8(9)4/h6-9H,5H2,1-4H3
InChIKeyFRXJQJIZNYEZGL-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-2-[2-[5-methyl-2-(2-methylpropyl)oxolan-3-yl]ethyl]-3-propan-2-yloxolane
CID 20766407
2,4-dimethyl-6-propan-2-yloxane
CID 86234215
azane;1-methyl-2-propan-2-ylcyclopropane
CID 21258764
ethane;1-methyl-2-propan-2-ylcyclopropane
CID 143332059
(2S,3R)-2,3,4,6-tetramethyloxane
CID 162125825
2,3,4,6-tetramethyloxane
CID 20816370
(4S,6S)-3,3,4,6-tetramethyl-2-propan-2-yloxane
CID 59661877
(1S,3S,4S,5R,7S)-7-methyl-3-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-4-ol
CID 177073250
(2S,3R)-2,4,6-trimethyloxan-3-ol
CID 142458613
cis-(1S,2R)-1,2-dimethylcyclopropane;ethane;methane;trans-(1S,2R)-1-methyl-2-propan-2-ylcyclopropane
CID 158862378
[(2R,3R,5S)-2,5-dimethyloxolan-3-yl]boronic acid
CID 163654714
[(2S,3S,5R)-2,5-dimethyloxolan-3-yl]methanol
CID 171816838

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-propan-2-yloxolane?
The IUPAC name of 2,5-dimethyl-3-propan-2-yloxolane (CID 164557696) is 2,5-dimethyl-3-propan-2-yloxolane.
What is the SMILES notation for 2,5-dimethyl-3-propan-2-yloxolane?
The canonical SMILES for 2,5-dimethyl-3-propan-2-yloxolane is CC1CC(C(C)C)C(C)O1.
What is the InChIKey of 2,5-dimethyl-3-propan-2-yloxolane?
The InChIKey is FRXJQJIZNYEZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-6(2)9-5-7(3)10-8(9)4/h6-9H,5H2,1-4H3.
What are the key properties of 2,5-dimethyl-3-propan-2-yloxolane?
2,5-dimethyl-3-propan-2-yloxolane has a molecular weight of 142.24 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-propan-2-yloxolane is sourced from PubChem (CID 164557696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).