2-(dipropoxymethyl)oxolane

C11H22O3 — CID 12664780

IUPAC2-(dipropoxymethyl)oxolane
SMILESCCCOC(OCCC)C1CCCO1
InChIInChI=1S/C11H22O3/c1-3-7-13-11(14-8-4-2)10-6-5-9-12-10/h10-11H,3-9H2,1-2H3
InChIKeyVTXNFFOPVNCZIS-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.34
Rot. Bonds7

About 2-(dipropoxymethyl)oxolane

2-(dipropoxymethyl)oxolane (PubChem CID 12664780) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-(dipropoxymethyl)oxolane.

Molecular Properties

Compound Name2-(dipropoxymethyl)oxolane
PubChem CID12664780
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-(dipropoxymethyl)oxolane
SMILESCCCOC(OCCC)C1CCCO1
InChIInChI=1S/C11H22O3/c1-3-7-13-11(14-8-4-2)10-6-5-9-12-10/h10-11H,3-9H2,1-2H3
InChIKeyVTXNFFOPVNCZIS-UHFFFAOYSA-N
XLogP2.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(dimethoxymethyl)oxolane
CID 93340923
(1S)-1-(oxolan-2-yl)propan-1-ol
CID 67355523
(1R)-1-[(2S)-oxolan-2-yl]propan-1-ol
CID 67355521
2-(dimethoxymethyl)oxane
CID 101048405
ethyl 3-oxo-2-(oxolan-2-yl)butanoate
CID 14416095
(1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol
CID 10997513
1-(oxolan-2-yl)-2-propan-2-yloxyethanol
CID 79567883
(2S)-2-[(1R)-1-iodohexyl]oxolane
CID 101448708
2-[1-(methoxymethoxy)undecyl]oxolane
CID 87669321
[ethoxy(oxolan-2-yl)methyl] prop-2-enoate
CID 175540639
1-methoxy-N-[1-(oxolan-2-yl)propyl]butan-2-amine
CID 115896555
ethyl 2-[hydroxy(oxolan-2-yl)methyl]butanoate
CID 82837689

Frequently Asked Questions

What is the IUPAC name of 2-(dipropoxymethyl)oxolane?
The IUPAC name of 2-(dipropoxymethyl)oxolane (CID 12664780) is 2-(dipropoxymethyl)oxolane.
What is the SMILES notation for 2-(dipropoxymethyl)oxolane?
The canonical SMILES for 2-(dipropoxymethyl)oxolane is CCCOC(OCCC)C1CCCO1.
What is the InChIKey of 2-(dipropoxymethyl)oxolane?
The InChIKey is VTXNFFOPVNCZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-3-7-13-11(14-8-4-2)10-6-5-9-12-10/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-(dipropoxymethyl)oxolane?
2-(dipropoxymethyl)oxolane has a molecular weight of 202.29 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropoxymethyl)oxolane is sourced from PubChem (CID 12664780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).