4-butyl-2-(oxolan-2-yl)-1,3-dioxolane

C11H20O3 — CID 54162884

IUPAC4-butyl-2-(oxolan-2-yl)-1,3-dioxolane
SMILESCCCCC1COC(C2CCCO2)O1
InChIInChI=1S/C11H20O3/c1-2-3-5-9-8-13-11(14-9)10-6-4-7-12-10/h9-11H,2-8H2,1H3
InChIKeyOPQQSRNXHCESJH-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.10
Rot. Bonds4

About 4-butyl-2-(oxolan-2-yl)-1,3-dioxolane

4-butyl-2-(oxolan-2-yl)-1,3-dioxolane (PubChem CID 54162884) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-butyl-2-(oxolan-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name4-butyl-2-(oxolan-2-yl)-1,3-dioxolane
PubChem CID54162884
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name4-butyl-2-(oxolan-2-yl)-1,3-dioxolane
SMILESCCCCC1COC(C2CCCO2)O1
InChIInChI=1S/C11H20O3/c1-2-3-5-9-8-13-11(14-9)10-6-4-7-12-10/h9-11H,2-8H2,1H3
InChIKeyOPQQSRNXHCESJH-UHFFFAOYSA-N
XLogP2.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4aR,8aR)-3-hexyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxine
CID 162408125
2-tetradecyloxolane
CID 10683364
2-butyloxirane;trimethylsilane
CID 174652516
(2R)-2-pentyloxirane
CID 11147691
2-butyloxolane;pentylcyclopentane
CID 143579314
2-[3-(oxiran-2-yl)propyl]oxolane
CID 115410470
2-tetradecyloxirane
CID 23741
(2R)-2-octadecyloxirane
CID 98043533
2-tetratetracontyloxirane
CID 102093754
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;2-hexyloxirane
CID 161227178

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-(oxolan-2-yl)-1,3-dioxolane?
The IUPAC name of 4-butyl-2-(oxolan-2-yl)-1,3-dioxolane (CID 54162884) is 4-butyl-2-(oxolan-2-yl)-1,3-dioxolane.
What is the SMILES notation for 4-butyl-2-(oxolan-2-yl)-1,3-dioxolane?
The canonical SMILES for 4-butyl-2-(oxolan-2-yl)-1,3-dioxolane is CCCCC1COC(C2CCCO2)O1.
What is the InChIKey of 4-butyl-2-(oxolan-2-yl)-1,3-dioxolane?
The InChIKey is OPQQSRNXHCESJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-2-3-5-9-8-13-11(14-9)10-6-4-7-12-10/h9-11H,2-8H2,1H3.
What are the key properties of 4-butyl-2-(oxolan-2-yl)-1,3-dioxolane?
4-butyl-2-(oxolan-2-yl)-1,3-dioxolane has a molecular weight of 200.28 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-(oxolan-2-yl)-1,3-dioxolane is sourced from PubChem (CID 54162884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).