13,16-dimethoxy-5,24-dimethyl-9,20-dioxoheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10(28),11,13,15,17,19(27),21(26),22,24-tridecaene-11,18-dicarbaldehyde

C34H22O6 — CID 20766146

IUPAC13,16-dimethoxy-5,24-dimethyl-9,20-dioxoheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10(28),11,13,15,17,19(27),21(26),22,24-tridecaene-11,18-dicarbaldehyde
SMILESCOc1cc(C=O)c2c(=O)c3ccc(C)cc3c3c2c1c1c(OC)cc(C=O)c2c(=O)c4ccc(C)cc4c3c21
InChIInChI=1S/C34H22O6/c1-15-5-7-19-21(9-15)27-28-22-10-16(2)6-8-20(22)34(38)26-18(14-36)12-24(40-4)30(32(26)28)29-23(39-3)11-17(13-35)25(31(27)29)33(19)37/h5-14H,1-4H3
InChIKeyDHODMGKJYDYFQI-UHFFFAOYSA-N
MW526.54 g/mol
LogP6.46
Rot. Bonds4

About 13,16-dimethoxy-5,24-dimethyl-9,20-dioxoheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10(28),11,13,15,17,19(27),21(26),22,24-tridecaene-11,18-dicarbaldehyde

13,16-dimethoxy-5,24-dimethyl-9,20-dioxoheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10(28),11,13,15,17,19(27),21(26),22,24-tridecaene-11,18-dicarbaldehyde (PubChem CID 20766146) has the molecular formula C34H22O6 and a molecular weight of 526.54 g/mol. Its IUPAC name is 13,16-dimethoxy-5,24-dimethyl-9,20-dioxoheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10(28),11,13,15,17,19(27),21(26),22,24-tridecaene-11,18-dicarbaldehyde.

Molecular Properties

Compound Name13,16-dimethoxy-5,24-dimethyl-9,20-dioxoheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10(28),11,13,15,17,19(27),21(26),22,24-tridecaene-11,18-dicarbaldehyde
PubChem CID20766146
Molecular FormulaC34H22O6
Molecular Weight526.54 g/mol
Exact Mass526.14
IUPAC Name13,16-dimethoxy-5,24-dimethyl-9,20-dioxoheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10(28),11,13,15,17,19(27),21(26),22,24-tridecaene-11,18-dicarbaldehyde
SMILESCOc1cc(C=O)c2c(=O)c3ccc(C)cc3c3c2c1c1c(OC)cc(C=O)c2c(=O)c4ccc(C)cc4c3c21
InChIInChI=1S/C34H22O6/c1-15-5-7-19-21(9-15)27-28-22-10-16(2)6-8-20(22)34(38)26-18(14-36)12-24(40-4)30(32(26)28)29-23(39-3)11-17(13-35)25(31(27)29)33(19)37/h5-14H,1-4H3
InChIKeyDHODMGKJYDYFQI-UHFFFAOYSA-N
XLogP6.46
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.54
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 13,16-dimethoxy-5,24-dimethyl-9,20-dioxoheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10(28),11,13,15,17,19(27),21(26),22,24-tridecaene-11,18-dicarbaldehyde with MolForge

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Related Compounds

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2-(2,6-dimethoxyphenyl)-4-methylbenzaldehyde
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ethane;2-methoxy-1-(2-methoxy-4,6-dimethylnaphthalen-1-yl)-4,6-dimethylnaphthalene
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2-[4-(2-formyl-4-methylphenoxy)butoxy]-5-methylbenzaldehyde
CID 51358055
1,2-dimethoxy-9-oxoxanthene-4-carbaldehyde
CID 71664197
ethane;2,4,5-trimethoxybenzaldehyde
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1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 974668
2-(4-methoxy-3,5-dimethylphenyl)-4-methylbenzaldehyde
CID 83068040
4-methyl-2-(methylaminooxy)benzaldehyde
CID 145163074

Frequently Asked Questions

What is the IUPAC name of 13,16-dimethoxy-5,24-dimethyl-9,20-dioxoheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10(28),11,13,15,17,19(27),21(26),22,24-tridecaene-11,18-dicarbaldehyde?
The IUPAC name of 13,16-dimethoxy-5,24-dimethyl-9,20-dioxoheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10(28),11,13,15,17,19(27),21(26),22,24-tridecaene-11,18-dicarbaldehyde (CID 20766146) is 13,16-dimethoxy-5,24-dimethyl-9,20-dioxoheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10(28),11,13,15,17,19(27),21(26),22,24-tridecaene-11,18-dicarbaldehyde.
What is the SMILES notation for 13,16-dimethoxy-5,24-dimethyl-9,20-dioxoheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10(28),11,13,15,17,19(27),21(26),22,24-tridecaene-11,18-dicarbaldehyde?
The canonical SMILES for 13,16-dimethoxy-5,24-dimethyl-9,20-dioxoheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10(28),11,13,15,17,19(27),21(26),22,24-tridecaene-11,18-dicarbaldehyde is COc1cc(C=O)c2c(=O)c3ccc(C)cc3c3c2c1c1c(OC)cc(C=O)c2c(=O)c4ccc(C)cc4c3c21.
What is the InChIKey of 13,16-dimethoxy-5,24-dimethyl-9,20-dioxoheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10(28),11,13,15,17,19(27),21(26),22,24-tridecaene-11,18-dicarbaldehyde?
The InChIKey is DHODMGKJYDYFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22O6/c1-15-5-7-19-21(9-15)27-28-22-10-16(2)6-8-20(22)34(38)26-18(14-36)12-24(40-4)30(32(26)28)29-23(39-3)11-17(13-35)25(31(27)29)33(19)37/h5-14H,1-4H3.
What are the key properties of 13,16-dimethoxy-5,24-dimethyl-9,20-dioxoheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10(28),11,13,15,17,19(27),21(26),22,24-tridecaene-11,18-dicarbaldehyde?
13,16-dimethoxy-5,24-dimethyl-9,20-dioxoheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10(28),11,13,15,17,19(27),21(26),22,24-tridecaene-11,18-dicarbaldehyde has a molecular weight of 526.54 g/mol, XLogP of 6.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13,16-dimethoxy-5,24-dimethyl-9,20-dioxoheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10(28),11,13,15,17,19(27),21(26),22,24-tridecaene-11,18-dicarbaldehyde is sourced from PubChem (CID 20766146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).