2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-3,5-bis(methoxymethoxy)benzaldehyde

C18H20O8 — CID 23147566

IUPAC2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-3,5-bis(methoxymethoxy)benzaldehyde
SMILESCOCOc1cc(C=O)c(-c2ccc(C3OCCO3)o2)c(OCOC)c1
InChIInChI=1S/C18H20O8/c1-20-10-24-13-7-12(9-19)17(16(8-13)25-11-21-2)14-3-4-15(26-14)18-22-5-6-23-18/h3-4,7-9,18H,5-6,10-11H2,1-2H3
InChIKeyPVVQIOWOSCFZSP-UHFFFAOYSA-N
MW364.35 g/mol
LogP2.77
Rot. Bonds9

About 2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-3,5-bis(methoxymethoxy)benzaldehyde

2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-3,5-bis(methoxymethoxy)benzaldehyde (PubChem CID 23147566) has the molecular formula C18H20O8 and a molecular weight of 364.35 g/mol. Its IUPAC name is 2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-3,5-bis(methoxymethoxy)benzaldehyde.

Molecular Properties

Compound Name2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-3,5-bis(methoxymethoxy)benzaldehyde
PubChem CID23147566
Molecular FormulaC18H20O8
Molecular Weight364.35 g/mol
Exact Mass364.12
IUPAC Name2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-3,5-bis(methoxymethoxy)benzaldehyde
SMILESCOCOc1cc(C=O)c(-c2ccc(C3OCCO3)o2)c(OCOC)c1
InChIInChI=1S/C18H20O8/c1-20-10-24-13-7-12(9-19)17(16(8-13)25-11-21-2)14-3-4-15(26-14)18-22-5-6-23-18/h3-4,7-9,18H,5-6,10-11H2,1-2H3
InChIKeyPVVQIOWOSCFZSP-UHFFFAOYSA-N
XLogP2.77
TPSA85.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-3,5-bis(methoxymethoxy)benzaldehyde?
The IUPAC name of 2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-3,5-bis(methoxymethoxy)benzaldehyde (CID 23147566) is 2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-3,5-bis(methoxymethoxy)benzaldehyde.
What is the SMILES notation for 2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-3,5-bis(methoxymethoxy)benzaldehyde?
The canonical SMILES for 2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-3,5-bis(methoxymethoxy)benzaldehyde is COCOc1cc(C=O)c(-c2ccc(C3OCCO3)o2)c(OCOC)c1.
What is the InChIKey of 2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-3,5-bis(methoxymethoxy)benzaldehyde?
The InChIKey is PVVQIOWOSCFZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O8/c1-20-10-24-13-7-12(9-19)17(16(8-13)25-11-21-2)14-3-4-15(26-14)18-22-5-6-23-18/h3-4,7-9,18H,5-6,10-11H2,1-2H3.
What are the key properties of 2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-3,5-bis(methoxymethoxy)benzaldehyde?
2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-3,5-bis(methoxymethoxy)benzaldehyde has a molecular weight of 364.35 g/mol, XLogP of 2.77, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-3,5-bis(methoxymethoxy)benzaldehyde is sourced from PubChem (CID 23147566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).