2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]butan-2-yloxy]oxane

C15H28O5 — CID 59690885

IUPAC2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]butan-2-yloxy]oxane
SMILESCCC(COCC1COC(C)(C)O1)OC1CCCCO1
InChIInChI=1S/C15H28O5/c1-4-12(19-14-7-5-6-8-17-14)9-16-10-13-11-18-15(2,3)20-13/h12-14H,4-11H2,1-3H3
InChIKeySQFJNYIOXAWLDI-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.48
Rot. Bonds7

About 2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]butan-2-yloxy]oxane

2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]butan-2-yloxy]oxane (PubChem CID 59690885) has the molecular formula C15H28O5 and a molecular weight of 288.38 g/mol. Its IUPAC name is 2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]butan-2-yloxy]oxane.

Molecular Properties

Compound Name2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]butan-2-yloxy]oxane
PubChem CID59690885
Molecular FormulaC15H28O5
Molecular Weight288.38 g/mol
Exact Mass288.19
IUPAC Name2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]butan-2-yloxy]oxane
SMILESCCC(COCC1COC(C)(C)O1)OC1CCCCO1
InChIInChI=1S/C15H28O5/c1-4-12(19-14-7-5-6-8-17-14)9-16-10-13-11-18-15(2,3)20-13/h12-14H,4-11H2,1-3H3
InChIKeySQFJNYIOXAWLDI-UHFFFAOYSA-N
XLogP2.48
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]butan-2-yloxy]oxane?
The IUPAC name of 2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]butan-2-yloxy]oxane (CID 59690885) is 2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]butan-2-yloxy]oxane.
What is the SMILES notation for 2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]butan-2-yloxy]oxane?
The canonical SMILES for 2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]butan-2-yloxy]oxane is CCC(COCC1COC(C)(C)O1)OC1CCCCO1.
What is the InChIKey of 2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]butan-2-yloxy]oxane?
The InChIKey is SQFJNYIOXAWLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O5/c1-4-12(19-14-7-5-6-8-17-14)9-16-10-13-11-18-15(2,3)20-13/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]butan-2-yloxy]oxane?
2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]butan-2-yloxy]oxane has a molecular weight of 288.38 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]butan-2-yloxy]oxane is sourced from PubChem (CID 59690885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).