5,5-bis(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol

C23H22N2O5 — CID 10272704

IUPAC5,5-bis(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol
SMILESOCCCCC(c1c[nH]c2cc3c(cc12)OCO3)c1c[nH]c2cc3c(cc12)OCO3
InChIInChI=1S/C23H22N2O5/c26-4-2-1-3-13(16-9-24-18-7-22-20(5-14(16)18)27-11-29-22)17-10-25-19-8-23-21(6-15(17)19)28-12-30-23/h5-10,13,24-26H,1-4,11-12H2
InChIKeyDANQJLAJEHUMNS-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.40
Rot. Bonds6

About 5,5-bis(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol

5,5-bis(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol (PubChem CID 10272704) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is 5,5-bis(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol.

Molecular Properties

Compound Name5,5-bis(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol
PubChem CID10272704
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name5,5-bis(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol
SMILESOCCCCC(c1c[nH]c2cc3c(cc12)OCO3)c1c[nH]c2cc3c(cc12)OCO3
InChIInChI=1S/C23H22N2O5/c26-4-2-1-3-13(16-9-24-18-7-22-20(5-14(16)18)27-11-29-22)17-10-25-19-8-23-21(6-15(17)19)28-12-30-23/h5-10,13,24-26H,1-4,11-12H2
InChIKeyDANQJLAJEHUMNS-UHFFFAOYSA-N
XLogP4.40
TPSA88.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-bis(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol?
The IUPAC name of 5,5-bis(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol (CID 10272704) is 5,5-bis(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol.
What is the SMILES notation for 5,5-bis(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol?
The canonical SMILES for 5,5-bis(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol is OCCCCC(c1c[nH]c2cc3c(cc12)OCO3)c1c[nH]c2cc3c(cc12)OCO3.
What is the InChIKey of 5,5-bis(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol?
The InChIKey is DANQJLAJEHUMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c26-4-2-1-3-13(16-9-24-18-7-22-20(5-14(16)18)27-11-29-22)17-10-25-19-8-23-21(6-15(17)19)28-12-30-23/h5-10,13,24-26H,1-4,11-12H2.
What are the key properties of 5,5-bis(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol?
5,5-bis(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol has a molecular weight of 406.44 g/mol, XLogP of 4.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol is sourced from PubChem (CID 10272704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).