(3Z,6Z)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-3,6,10,12,23,25-hexaene

C20H24O6 — CID 18378954

IUPAC(3Z,6Z)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-3,6,10,12,23,25-hexaene
SMILESC1=CC2O/C=C\O/C=C\OC3C=CC=CC3OCCOCCOC2C=C1
InChIInChI=1S/C20H24O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h1-9,11,13,15,17-20H,10,12,14,16H2/b13-9-,15-11-
InChIKeyKOKVDEWVVVKPKH-JNWSJVTKSA-N
MW360.41 g/mol
LogP2.77
Rot. Bonds

About (3Z,6Z)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-3,6,10,12,23,25-hexaene

(3Z,6Z)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-3,6,10,12,23,25-hexaene (PubChem CID 18378954) has the molecular formula C20H24O6 and a molecular weight of 360.41 g/mol. Its IUPAC name is (3Z,6Z)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-3,6,10,12,23,25-hexaene.

Molecular Properties

Compound Name(3Z,6Z)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-3,6,10,12,23,25-hexaene
PubChem CID18378954
Molecular FormulaC20H24O6
Molecular Weight360.41 g/mol
Exact Mass360.16
IUPAC Name(3Z,6Z)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-3,6,10,12,23,25-hexaene
SMILESC1=CC2O/C=C\O/C=C\OC3C=CC=CC3OCCOCCOC2C=C1
InChIInChI=1S/C20H24O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h1-9,11,13,15,17-20H,10,12,14,16H2/b13-9-,15-11-
InChIKeyKOKVDEWVVVKPKH-JNWSJVTKSA-N
XLogP2.77
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-3,6,10,12,23,25-hexaene?
The IUPAC name of (3Z,6Z)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-3,6,10,12,23,25-hexaene (CID 18378954) is (3Z,6Z)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-3,6,10,12,23,25-hexaene.
What is the SMILES notation for (3Z,6Z)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-3,6,10,12,23,25-hexaene?
The canonical SMILES for (3Z,6Z)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-3,6,10,12,23,25-hexaene is C1=CC2O/C=C\O/C=C\OC3C=CC=CC3OCCOCCOC2C=C1.
What is the InChIKey of (3Z,6Z)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-3,6,10,12,23,25-hexaene?
The InChIKey is KOKVDEWVVVKPKH-JNWSJVTKSA-N. The full InChI is InChI=1S/C20H24O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h1-9,11,13,15,17-20H,10,12,14,16H2/b13-9-,15-11-.
What are the key properties of (3Z,6Z)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-3,6,10,12,23,25-hexaene?
(3Z,6Z)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-3,6,10,12,23,25-hexaene has a molecular weight of 360.41 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-3,6,10,12,23,25-hexaene is sourced from PubChem (CID 18378954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).