3,3-bis(1,3-dioxan-2-yloxy)propanal

C11H18O7 — CID 141053260

IUPAC3,3-bis(1,3-dioxan-2-yloxy)propanal
SMILESO=CCC(OC1OCCCO1)OC1OCCCO1
InChIInChI=1S/C11H18O7/c12-4-3-9(17-10-13-5-1-6-14-10)18-11-15-7-2-8-16-11/h4,9-11H,1-3,5-8H2
InChIKeyAYCQQVNZASSGIP-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.38
Rot. Bonds6

About 3,3-bis(1,3-dioxan-2-yloxy)propanal

3,3-bis(1,3-dioxan-2-yloxy)propanal (PubChem CID 141053260) has the molecular formula C11H18O7 and a molecular weight of 262.26 g/mol. Its IUPAC name is 3,3-bis(1,3-dioxan-2-yloxy)propanal.

Molecular Properties

Compound Name3,3-bis(1,3-dioxan-2-yloxy)propanal
PubChem CID141053260
Molecular FormulaC11H18O7
Molecular Weight262.26 g/mol
Exact Mass262.11
IUPAC Name3,3-bis(1,3-dioxan-2-yloxy)propanal
SMILESO=CCC(OC1OCCCO1)OC1OCCCO1
InChIInChI=1S/C11H18O7/c12-4-3-9(17-10-13-5-1-6-14-10)18-11-15-7-2-8-16-11/h4,9-11H,1-3,5-8H2
InChIKeyAYCQQVNZASSGIP-UHFFFAOYSA-N
XLogP0.38
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(1,3-dioxan-2-yloxy)propanal?
The IUPAC name of 3,3-bis(1,3-dioxan-2-yloxy)propanal (CID 141053260) is 3,3-bis(1,3-dioxan-2-yloxy)propanal.
What is the SMILES notation for 3,3-bis(1,3-dioxan-2-yloxy)propanal?
The canonical SMILES for 3,3-bis(1,3-dioxan-2-yloxy)propanal is O=CCC(OC1OCCCO1)OC1OCCCO1.
What is the InChIKey of 3,3-bis(1,3-dioxan-2-yloxy)propanal?
The InChIKey is AYCQQVNZASSGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O7/c12-4-3-9(17-10-13-5-1-6-14-10)18-11-15-7-2-8-16-11/h4,9-11H,1-3,5-8H2.
What are the key properties of 3,3-bis(1,3-dioxan-2-yloxy)propanal?
3,3-bis(1,3-dioxan-2-yloxy)propanal has a molecular weight of 262.26 g/mol, XLogP of 0.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(1,3-dioxan-2-yloxy)propanal is sourced from PubChem (CID 141053260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).