7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene

C28H20O2 — CID 58411039

IUPAC7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
SMILESCOc1ccc2c(ccc3c2ccc2c4ccc5cc(OC)ccc5c4ccc32)c1
InChIInChI=1S/C28H20O2/c1-29-19-5-9-21-17(15-19)3-7-25-23(21)11-13-28-26-8-4-18-16-20(30-2)6-10-22(18)24(26)12-14-27(25)28/h3-16H,1-2H3
InChIKeyUYXCOEPJJAHCJJ-UHFFFAOYSA-N
MW388.47 g/mol
LogP7.47
Rot. Bonds2

About 7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene

7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene (PubChem CID 58411039) has the molecular formula C28H20O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene.

Molecular Properties

Compound Name7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
PubChem CID58411039
Molecular FormulaC28H20O2
Molecular Weight388.47 g/mol
Exact Mass388.15
IUPAC Name7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
SMILESCOc1ccc2c(ccc3c2ccc2c4ccc5cc(OC)ccc5c4ccc32)c1
InChIInChI=1S/C28H20O2/c1-29-19-5-9-21-17(15-19)3-7-25-23(21)11-13-28-26-8-4-18-16-20(30-2)6-10-22(18)24(26)12-14-27(25)28/h3-16H,1-2H3
InChIKeyUYXCOEPJJAHCJJ-UHFFFAOYSA-N
XLogP7.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene with MolForge

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Related Compounds

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CID 135231094
2,6-dimethoxy-1-methylnaphthalene
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1,3,7-trimethoxynaphthalene
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2,6-dimethoxy-1-(4-methoxyphenyl)naphthalene
CID 139203574
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
2,3,4,7-tetramethoxyphenanthrene
CID 11437978
7-methoxy-2-methylbenzo[g][1]benzothiole
CID 5260119
2,6-dimethoxynaphthalene-1-carbaldehyde
CID 12583354
6,20-dimethoxy-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene
CID 162453579
2-methoxy-6-[(2-methylpropan-2-yl)oxy]naphthalene
CID 155296690
1,2-difluoro-7-methoxyphenanthrene-3-carbaldehyde
CID 167713797
1-chloro-2-ethenyl-6-methoxynaphthalene
CID 59799867

Frequently Asked Questions

What is the IUPAC name of 7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene?
The IUPAC name of 7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene (CID 58411039) is 7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene.
What is the SMILES notation for 7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene?
The canonical SMILES for 7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene is COc1ccc2c(ccc3c2ccc2c4ccc5cc(OC)ccc5c4ccc32)c1.
What is the InChIKey of 7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene?
The InChIKey is UYXCOEPJJAHCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20O2/c1-29-19-5-9-21-17(15-19)3-7-25-23(21)11-13-28-26-8-4-18-16-20(30-2)6-10-22(18)24(26)12-14-27(25)28/h3-16H,1-2H3.
What are the key properties of 7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene?
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene has a molecular weight of 388.47 g/mol, XLogP of 7.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene is sourced from PubChem (CID 58411039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).