2-[2-[2-(cyclopropylmethoxy)oxolan-3-yl]ethyl]-1,3-dioxolane

C13H22O4 — CID 101452015

IUPAC2-[2-[2-(cyclopropylmethoxy)oxolan-3-yl]ethyl]-1,3-dioxolane
SMILESC1COC(CCC2CCOC2OCC2CC2)O1
InChIInChI=1S/C13H22O4/c1-2-10(1)9-17-13-11(5-6-16-13)3-4-12-14-7-8-15-12/h10-13H,1-9H2
InChIKeyZRCAZJOXLZZORZ-UHFFFAOYSA-N
MW242.31 g/mol
LogP1.93
Rot. Bonds6

About 2-[2-[2-(cyclopropylmethoxy)oxolan-3-yl]ethyl]-1,3-dioxolane

2-[2-[2-(cyclopropylmethoxy)oxolan-3-yl]ethyl]-1,3-dioxolane (PubChem CID 101452015) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is 2-[2-[2-(cyclopropylmethoxy)oxolan-3-yl]ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-[2-(cyclopropylmethoxy)oxolan-3-yl]ethyl]-1,3-dioxolane
PubChem CID101452015
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name2-[2-[2-(cyclopropylmethoxy)oxolan-3-yl]ethyl]-1,3-dioxolane
SMILESC1COC(CCC2CCOC2OCC2CC2)O1
InChIInChI=1S/C13H22O4/c1-2-10(1)9-17-13-11(5-6-16-13)3-4-12-14-7-8-15-12/h10-13H,1-9H2
InChIKeyZRCAZJOXLZZORZ-UHFFFAOYSA-N
XLogP1.93
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(cyclopropylmethoxy)oxolan-3-yl]ethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-[2-(cyclopropylmethoxy)oxolan-3-yl]ethyl]-1,3-dioxolane (CID 101452015) is 2-[2-[2-(cyclopropylmethoxy)oxolan-3-yl]ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-[2-(cyclopropylmethoxy)oxolan-3-yl]ethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-[2-(cyclopropylmethoxy)oxolan-3-yl]ethyl]-1,3-dioxolane is C1COC(CCC2CCOC2OCC2CC2)O1.
What is the InChIKey of 2-[2-[2-(cyclopropylmethoxy)oxolan-3-yl]ethyl]-1,3-dioxolane?
The InChIKey is ZRCAZJOXLZZORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-2-10(1)9-17-13-11(5-6-16-13)3-4-12-14-7-8-15-12/h10-13H,1-9H2.
What are the key properties of 2-[2-[2-(cyclopropylmethoxy)oxolan-3-yl]ethyl]-1,3-dioxolane?
2-[2-[2-(cyclopropylmethoxy)oxolan-3-yl]ethyl]-1,3-dioxolane has a molecular weight of 242.31 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(cyclopropylmethoxy)oxolan-3-yl]ethyl]-1,3-dioxolane is sourced from PubChem (CID 101452015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).