2,4,6,8,15,18,21-heptaoxatricyclo[20.4.0.09,14]hexacosa-1(26),10,12,22-tetraene

C19H26O7 — CID 58675999

IUPAC2,4,6,8,15,18,21-heptaoxatricyclo[20.4.0.09,14]hexacosa-1(26),10,12,22-tetraene
SMILESC1=CC2OCCOCCOC3=CCCC=C3OCOCOCOC2C=C1
InChIInChI=1S/C19H26O7/c1-3-7-18-16(5-1)23-11-9-20-10-12-24-17-6-2-4-8-19(17)26-15-22-13-21-14-25-18/h1,3,5-8,16,18H,2,4,9-15H2
InChIKeyPNOHZPDGURRSKH-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.41
Rot. Bonds

About 2,4,6,8,15,18,21-heptaoxatricyclo[20.4.0.09,14]hexacosa-1(26),10,12,22-tetraene

2,4,6,8,15,18,21-heptaoxatricyclo[20.4.0.09,14]hexacosa-1(26),10,12,22-tetraene (PubChem CID 58675999) has the molecular formula C19H26O7 and a molecular weight of 366.41 g/mol. Its IUPAC name is 2,4,6,8,15,18,21-heptaoxatricyclo[20.4.0.09,14]hexacosa-1(26),10,12,22-tetraene.

Molecular Properties

Compound Name2,4,6,8,15,18,21-heptaoxatricyclo[20.4.0.09,14]hexacosa-1(26),10,12,22-tetraene
PubChem CID58675999
Molecular FormulaC19H26O7
Molecular Weight366.41 g/mol
Exact Mass366.17
IUPAC Name2,4,6,8,15,18,21-heptaoxatricyclo[20.4.0.09,14]hexacosa-1(26),10,12,22-tetraene
SMILESC1=CC2OCCOCCOC3=CCCC=C3OCOCOCOC2C=C1
InChIInChI=1S/C19H26O7/c1-3-7-18-16(5-1)23-11-9-20-10-12-24-17-6-2-4-8-19(17)26-15-22-13-21-14-25-18/h1,3,5-8,16,18H,2,4,9-15H2
InChIKeyPNOHZPDGURRSKH-UHFFFAOYSA-N
XLogP2.41
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4,6,8,15,18,21-heptaoxatricyclo[20.4.0.09,14]hexacosa-1(26),10,12,22-tetraene?
The IUPAC name of 2,4,6,8,15,18,21-heptaoxatricyclo[20.4.0.09,14]hexacosa-1(26),10,12,22-tetraene (CID 58675999) is 2,4,6,8,15,18,21-heptaoxatricyclo[20.4.0.09,14]hexacosa-1(26),10,12,22-tetraene.
What is the SMILES notation for 2,4,6,8,15,18,21-heptaoxatricyclo[20.4.0.09,14]hexacosa-1(26),10,12,22-tetraene?
The canonical SMILES for 2,4,6,8,15,18,21-heptaoxatricyclo[20.4.0.09,14]hexacosa-1(26),10,12,22-tetraene is C1=CC2OCCOCCOC3=CCCC=C3OCOCOCOC2C=C1.
What is the InChIKey of 2,4,6,8,15,18,21-heptaoxatricyclo[20.4.0.09,14]hexacosa-1(26),10,12,22-tetraene?
The InChIKey is PNOHZPDGURRSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O7/c1-3-7-18-16(5-1)23-11-9-20-10-12-24-17-6-2-4-8-19(17)26-15-22-13-21-14-25-18/h1,3,5-8,16,18H,2,4,9-15H2.
What are the key properties of 2,4,6,8,15,18,21-heptaoxatricyclo[20.4.0.09,14]hexacosa-1(26),10,12,22-tetraene?
2,4,6,8,15,18,21-heptaoxatricyclo[20.4.0.09,14]hexacosa-1(26),10,12,22-tetraene has a molecular weight of 366.41 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8,15,18,21-heptaoxatricyclo[20.4.0.09,14]hexacosa-1(26),10,12,22-tetraene is sourced from PubChem (CID 58675999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).