10,10,14,14-tetramethyl-2,5,8,12,16,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene-22-carbaldehyde

C23H36O7 — CID 163529210

IUPAC10,10,14,14-tetramethyl-2,5,8,12,16,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene-22-carbaldehyde
SMILESCC1(C)COCCOCCOc2ccc(C=O)cc2OCCOCC(C)(C)COC1
InChIInChI=1S/C23H36O7/c1-22(2)15-26-8-7-25-9-11-29-20-6-5-19(14-24)13-21(20)30-12-10-27-16-23(3,4)18-28-17-22/h5-6,13-14H,7-12,15-18H2,1-4H3
InChIKeyDRLWERYRNSODDF-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.39
Rot. Bonds1

About 10,10,14,14-tetramethyl-2,5,8,12,16,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene-22-carbaldehyde

10,10,14,14-tetramethyl-2,5,8,12,16,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene-22-carbaldehyde (PubChem CID 163529210) has the molecular formula C23H36O7 and a molecular weight of 424.53 g/mol. Its IUPAC name is 10,10,14,14-tetramethyl-2,5,8,12,16,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene-22-carbaldehyde.

Molecular Properties

Compound Name10,10,14,14-tetramethyl-2,5,8,12,16,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene-22-carbaldehyde
PubChem CID163529210
Molecular FormulaC23H36O7
Molecular Weight424.53 g/mol
Exact Mass424.25
IUPAC Name10,10,14,14-tetramethyl-2,5,8,12,16,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene-22-carbaldehyde
SMILESCC1(C)COCCOCCOc2ccc(C=O)cc2OCCOCC(C)(C)COC1
InChIInChI=1S/C23H36O7/c1-22(2)15-26-8-7-25-9-11-29-20-6-5-19(14-24)13-21(20)30-12-10-27-16-23(3,4)18-28-17-22/h5-6,13-14H,7-12,15-18H2,1-4H3
InChIKeyDRLWERYRNSODDF-UHFFFAOYSA-N
XLogP3.39
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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2,17-dioxa-5,8,11,14-tetrathiabicyclo[16.4.0]docosa-1(18),19,21-triene-20-carbaldehyde
CID 10883987
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-5,5-dimethylcyclohexane-1,3-dione
CID 2337495
11-methyl-2,5,8-trioxa-11-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-15-carbaldehyde
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cyclohexanamine;2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
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deuterio(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
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3,3-dimethyl-2H-1-benzofuran-5-carbaldehyde
CID 20536180
2,3-dihydro-1,4-benzodioxine;naphthalene-2,6-dicarbaldehyde
CID 87827068
3,3-difluoro-2H-1,4-benzodioxine-6-carbaldehyde
CID 170358003
3-fluoro-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde
CID 57432269
14,30-dimethyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene
CID 90365748

Frequently Asked Questions

What is the IUPAC name of 10,10,14,14-tetramethyl-2,5,8,12,16,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene-22-carbaldehyde?
The IUPAC name of 10,10,14,14-tetramethyl-2,5,8,12,16,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene-22-carbaldehyde (CID 163529210) is 10,10,14,14-tetramethyl-2,5,8,12,16,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene-22-carbaldehyde.
What is the SMILES notation for 10,10,14,14-tetramethyl-2,5,8,12,16,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene-22-carbaldehyde?
The canonical SMILES for 10,10,14,14-tetramethyl-2,5,8,12,16,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene-22-carbaldehyde is CC1(C)COCCOCCOc2ccc(C=O)cc2OCCOCC(C)(C)COC1.
What is the InChIKey of 10,10,14,14-tetramethyl-2,5,8,12,16,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene-22-carbaldehyde?
The InChIKey is DRLWERYRNSODDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O7/c1-22(2)15-26-8-7-25-9-11-29-20-6-5-19(14-24)13-21(20)30-12-10-27-16-23(3,4)18-28-17-22/h5-6,13-14H,7-12,15-18H2,1-4H3.
What are the key properties of 10,10,14,14-tetramethyl-2,5,8,12,16,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene-22-carbaldehyde?
10,10,14,14-tetramethyl-2,5,8,12,16,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene-22-carbaldehyde has a molecular weight of 424.53 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,14,14-tetramethyl-2,5,8,12,16,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene-22-carbaldehyde is sourced from PubChem (CID 163529210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).