6,10,19-tris(methoxymethoxy)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,13,16-tricarbaldehyde

C29H26O9 — CID 102346348

IUPAC6,10,19-tris(methoxymethoxy)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,13,16-tricarbaldehyde
SMILESCOCOc1ccc(C=O)c2c1C1c3c(OCOC)ccc(C=O)c3C2c2c(C=O)ccc(OCOC)c21
InChIInChI=1S/C29H26O9/c1-33-13-36-19-7-4-16(10-30)22-25(19)29-26-20(37-14-34-2)8-5-17(11-31)23(26)28(22)24-18(12-32)6-9-21(27(24)29)38-15-35-3/h4-12,28-29H,13-15H2,1-3H3
InChIKeyOKXJJPJKNABMTL-UHFFFAOYSA-N
MW518.52 g/mol
LogP4.06
Rot. Bonds12

About 6,10,19-tris(methoxymethoxy)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,13,16-tricarbaldehyde

6,10,19-tris(methoxymethoxy)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,13,16-tricarbaldehyde (PubChem CID 102346348) has the molecular formula C29H26O9 and a molecular weight of 518.52 g/mol. Its IUPAC name is 6,10,19-tris(methoxymethoxy)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,13,16-tricarbaldehyde.

Molecular Properties

Compound Name6,10,19-tris(methoxymethoxy)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,13,16-tricarbaldehyde
PubChem CID102346348
Molecular FormulaC29H26O9
Molecular Weight518.52 g/mol
Exact Mass518.16
IUPAC Name6,10,19-tris(methoxymethoxy)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,13,16-tricarbaldehyde
SMILESCOCOc1ccc(C=O)c2c1C1c3c(OCOC)ccc(C=O)c3C2c2c(C=O)ccc(OCOC)c21
InChIInChI=1S/C29H26O9/c1-33-13-36-19-7-4-16(10-30)22-25(19)29-26-20(37-14-34-2)8-5-17(11-31)23(26)28(22)24-18(12-32)6-9-21(27(24)29)38-15-35-3/h4-12,28-29H,13-15H2,1-3H3
InChIKeyOKXJJPJKNABMTL-UHFFFAOYSA-N
XLogP4.06
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.52
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 6,10,19-tris(methoxymethoxy)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,13,16-tricarbaldehyde with MolForge

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Related Compounds

2,4-bis(methoxymethoxy)-3-methylbenzaldehyde
CID 140672878
3,4-bis(methoxymethoxy)benzaldehyde
CID 11746314
2-bromo-3-(methoxymethoxy)benzaldehyde
CID 59515258
3-(methoxymethoxy)pyridine-4-carbaldehyde
CID 45091058
2-methoxy-4-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649769
3,4-bis(methoxymethoxy)-2-(3-methylbut-2-enyl)benzaldehyde
CID 11098397
2-fluoro-4-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649767
2-(methoxymethoxy)-4-(trifluoromethoxy)benzaldehyde
CID 53465447
4-(8-formyl-5-methoxynaphthalen-1-yl)oxy-8-(methoxymethoxy)naphthalene-1-carbaldehyde
CID 11339020
4-fluoro-8-(methoxymethoxy)naphthalene-1-carbaldehyde
CID 11736457
2-bromo-4-(methoxymethoxy)benzaldehyde
CID 24829119
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081

Frequently Asked Questions

What is the IUPAC name of 6,10,19-tris(methoxymethoxy)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,13,16-tricarbaldehyde?
The IUPAC name of 6,10,19-tris(methoxymethoxy)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,13,16-tricarbaldehyde (CID 102346348) is 6,10,19-tris(methoxymethoxy)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,13,16-tricarbaldehyde.
What is the SMILES notation for 6,10,19-tris(methoxymethoxy)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,13,16-tricarbaldehyde?
The canonical SMILES for 6,10,19-tris(methoxymethoxy)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,13,16-tricarbaldehyde is COCOc1ccc(C=O)c2c1C1c3c(OCOC)ccc(C=O)c3C2c2c(C=O)ccc(OCOC)c21.
What is the InChIKey of 6,10,19-tris(methoxymethoxy)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,13,16-tricarbaldehyde?
The InChIKey is OKXJJPJKNABMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26O9/c1-33-13-36-19-7-4-16(10-30)22-25(19)29-26-20(37-14-34-2)8-5-17(11-31)23(26)28(22)24-18(12-32)6-9-21(27(24)29)38-15-35-3/h4-12,28-29H,13-15H2,1-3H3.
What are the key properties of 6,10,19-tris(methoxymethoxy)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,13,16-tricarbaldehyde?
6,10,19-tris(methoxymethoxy)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,13,16-tricarbaldehyde has a molecular weight of 518.52 g/mol, XLogP of 4.06, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10,19-tris(methoxymethoxy)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,13,16-tricarbaldehyde is sourced from PubChem (CID 102346348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).