11,14,17,20-tetraoxatricyclo[20.4.0.04,9]hexacosa-1(26),4,6,8,22,24-hexaen-2-yne

C22H24O4 — CID 101156164

IUPAC11,14,17,20-tetraoxatricyclo[20.4.0.04,9]hexacosa-1(26),4,6,8,22,24-hexaen-2-yne
SMILESC1#Cc2ccccc2COCCOCCOCCOCc2ccccc21
InChIInChI=1S/C22H24O4/c1-3-7-21-17-25-15-13-23-11-12-24-14-16-26-18-22-8-4-2-6-20(22)10-9-19(21)5-1/h1-8H,11-18H2
InChIKeyUDEWZEBEIUWYQL-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.17
Rot. Bonds

About 11,14,17,20-tetraoxatricyclo[20.4.0.04,9]hexacosa-1(26),4,6,8,22,24-hexaen-2-yne

11,14,17,20-tetraoxatricyclo[20.4.0.04,9]hexacosa-1(26),4,6,8,22,24-hexaen-2-yne (PubChem CID 101156164) has the molecular formula C22H24O4 and a molecular weight of 352.43 g/mol. Its IUPAC name is 11,14,17,20-tetraoxatricyclo[20.4.0.04,9]hexacosa-1(26),4,6,8,22,24-hexaen-2-yne.

Molecular Properties

Compound Name11,14,17,20-tetraoxatricyclo[20.4.0.04,9]hexacosa-1(26),4,6,8,22,24-hexaen-2-yne
PubChem CID101156164
Molecular FormulaC22H24O4
Molecular Weight352.43 g/mol
Exact Mass352.17
IUPAC Name11,14,17,20-tetraoxatricyclo[20.4.0.04,9]hexacosa-1(26),4,6,8,22,24-hexaen-2-yne
SMILESC1#Cc2ccccc2COCCOCCOCCOCc2ccccc21
InChIInChI=1S/C22H24O4/c1-3-7-21-17-25-15-13-23-11-12-24-14-16-26-18-22-8-4-2-6-20(22)10-9-19(21)5-1/h1-8H,11-18H2
InChIKeyUDEWZEBEIUWYQL-UHFFFAOYSA-N
XLogP3.17
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 101140723
3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-21-carbaldehyde
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CID 142279347
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CID 102216717
8-(3,6,9,12,15,18-hexaoxabicyclo[18.3.1]tetracosa-1(24),20,22-trien-24-yl)-7,9-dioxa-8-boranuidabicyclo[4.3.0]nona-1,3,5-triene-8-carbonitrile
CID 15712013
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CID 139077426
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Frequently Asked Questions

What is the IUPAC name of 11,14,17,20-tetraoxatricyclo[20.4.0.04,9]hexacosa-1(26),4,6,8,22,24-hexaen-2-yne?
The IUPAC name of 11,14,17,20-tetraoxatricyclo[20.4.0.04,9]hexacosa-1(26),4,6,8,22,24-hexaen-2-yne (CID 101156164) is 11,14,17,20-tetraoxatricyclo[20.4.0.04,9]hexacosa-1(26),4,6,8,22,24-hexaen-2-yne.
What is the SMILES notation for 11,14,17,20-tetraoxatricyclo[20.4.0.04,9]hexacosa-1(26),4,6,8,22,24-hexaen-2-yne?
The canonical SMILES for 11,14,17,20-tetraoxatricyclo[20.4.0.04,9]hexacosa-1(26),4,6,8,22,24-hexaen-2-yne is C1#Cc2ccccc2COCCOCCOCCOCc2ccccc21.
What is the InChIKey of 11,14,17,20-tetraoxatricyclo[20.4.0.04,9]hexacosa-1(26),4,6,8,22,24-hexaen-2-yne?
The InChIKey is UDEWZEBEIUWYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O4/c1-3-7-21-17-25-15-13-23-11-12-24-14-16-26-18-22-8-4-2-6-20(22)10-9-19(21)5-1/h1-8H,11-18H2.
What are the key properties of 11,14,17,20-tetraoxatricyclo[20.4.0.04,9]hexacosa-1(26),4,6,8,22,24-hexaen-2-yne?
11,14,17,20-tetraoxatricyclo[20.4.0.04,9]hexacosa-1(26),4,6,8,22,24-hexaen-2-yne has a molecular weight of 352.43 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,14,17,20-tetraoxatricyclo[20.4.0.04,9]hexacosa-1(26),4,6,8,22,24-hexaen-2-yne is sourced from PubChem (CID 101156164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).