3-butyl-2,5-dimethyloxolane

C10H20O — CID 86145465

IUPAC3-butyl-2,5-dimethyloxolane
SMILESCCCCC1CC(C)OC1C
InChIInChI=1S/C10H20O/c1-4-5-6-10-7-8(2)11-9(10)3/h8-10H,4-7H2,1-3H3
InChIKeyRLPYKSKGVARILC-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.99
Rot. Bonds3

About 3-butyl-2,5-dimethyloxolane

3-butyl-2,5-dimethyloxolane (PubChem CID 86145465) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-butyl-2,5-dimethyloxolane.

Molecular Properties

Compound Name3-butyl-2,5-dimethyloxolane
PubChem CID86145465
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name3-butyl-2,5-dimethyloxolane
SMILESCCCCC1CC(C)OC1C
InChIInChI=1S/C10H20O/c1-4-5-6-10-7-8(2)11-9(10)3/h8-10H,4-7H2,1-3H3
InChIKeyRLPYKSKGVARILC-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Butyltetrahydrofuran
CID 13861
Furan, 2-heptyltetrahydro-
CID 102816
2H-Pyran, tetrahydro-4-methyl-2-(2-methylpropyl)-
CID 114530
Furan, tetrahydro-2-octyl-
CID 110735
Cyclododeca(c)furan, tetradecahydro-
CID 170687
Cetyl Dimethylbutyl Ether
CID 9883836
Tetradecahydrocyclododeca[b]furan
CID 14687820
5-(Oxolan-2-ylmethyl)heptan-2-ol
CID 551274
Dihydrocitronellol ethyl ether, (+-)-
CID 90843
(Ethoxymethyl)cyclododecane
CID 3018713
Furan, tetrahydro-2,2-dimethyl-5-(1-methylpropyl)-
CID 520663
2-Hexyltetrahydrofuran
CID 551183

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2,5-dimethyloxolane?
The IUPAC name of 3-butyl-2,5-dimethyloxolane (CID 86145465) is 3-butyl-2,5-dimethyloxolane.
What is the SMILES notation for 3-butyl-2,5-dimethyloxolane?
The canonical SMILES for 3-butyl-2,5-dimethyloxolane is CCCCC1CC(C)OC1C.
What is the InChIKey of 3-butyl-2,5-dimethyloxolane?
The InChIKey is RLPYKSKGVARILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-4-5-6-10-7-8(2)11-9(10)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 3-butyl-2,5-dimethyloxolane?
3-butyl-2,5-dimethyloxolane has a molecular weight of 156.27 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2,5-dimethyloxolane is sourced from PubChem (CID 86145465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).