2-[1-(oxolan-2-yl)butyl]oxolane

C12H22O2 — CID 173143854

IUPAC2-[1-(oxolan-2-yl)butyl]oxolane
SMILESCCCC(C1CCCO1)C1CCCO1
InChIInChI=1S/C12H22O2/c1-2-5-10(11-6-3-8-13-11)12-7-4-9-14-12/h10-12H,2-9H2,1H3
InChIKeyBYKRBPPOBCDVII-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.76
Rot. Bonds4

About 2-[1-(oxolan-2-yl)butyl]oxolane

2-[1-(oxolan-2-yl)butyl]oxolane (PubChem CID 173143854) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[1-(oxolan-2-yl)butyl]oxolane.

Molecular Properties

Compound Name2-[1-(oxolan-2-yl)butyl]oxolane
PubChem CID173143854
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-[1-(oxolan-2-yl)butyl]oxolane
SMILESCCCC(C1CCCO1)C1CCCO1
InChIInChI=1S/C12H22O2/c1-2-5-10(11-6-3-8-13-11)12-7-4-9-14-12/h10-12H,2-9H2,1H3
InChIKeyBYKRBPPOBCDVII-UHFFFAOYSA-N
XLogP2.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2'-(1-Methylethylidene)bis(tetrahydrofuran)
CID 551484
Furan, 2,2'-(1-methylethylidene)bis(tetrahydro-
CID 3086302
Furan, tetrahydro-2,2-dimethyl-5-(1-methylpropyl)-
CID 520663
2,3'-Bioxolane
CID 551257
3-Bromo-2'-ethyl-2,3'-bioxolane
CID 15700616
2-Butyl-3-(methoxymethyl)oxolane
CID 129773554
2-n-Propyl-3-methyl-tetrahydrofuran
CID 18965607
Oxabicyclopentane
CID 21071687
a-(2-Methylbutyl)tetrahydrofuran
CID 53654831
Tetrahydro-2,3-dimethyl-5-propylfuran
CID 59089354
2,3-Dipropyloxolane
CID 134222256
(2S,5S)-2-methyl-2-(3-methylbutyl)-5-propan-2-yloxolane
CID 134222694

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxolan-2-yl)butyl]oxolane?
The IUPAC name of 2-[1-(oxolan-2-yl)butyl]oxolane (CID 173143854) is 2-[1-(oxolan-2-yl)butyl]oxolane.
What is the SMILES notation for 2-[1-(oxolan-2-yl)butyl]oxolane?
The canonical SMILES for 2-[1-(oxolan-2-yl)butyl]oxolane is CCCC(C1CCCO1)C1CCCO1.
What is the InChIKey of 2-[1-(oxolan-2-yl)butyl]oxolane?
The InChIKey is BYKRBPPOBCDVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-2-5-10(11-6-3-8-13-11)12-7-4-9-14-12/h10-12H,2-9H2,1H3.
What are the key properties of 2-[1-(oxolan-2-yl)butyl]oxolane?
2-[1-(oxolan-2-yl)butyl]oxolane has a molecular weight of 198.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxolan-2-yl)butyl]oxolane is sourced from PubChem (CID 173143854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).