3,10-dimethoxypentacyclo[10.6.2.02,11.04,9.013,18]icosa-2,4,6,8,10,13,15,17,19-nonaene

C22H18O2 — CID 91742181

IUPAC3,10-dimethoxypentacyclo[10.6.2.02,11.04,9.013,18]icosa-2,4,6,8,10,13,15,17,19-nonaene
SMILESCOc1c2c(c(OC)c3ccccc13)C1C=CC2c2ccccc21
InChIInChI=1S/C22H18O2/c1-23-21-17-9-5-6-10-18(17)22(24-2)20-16-12-11-15(19(20)21)13-7-3-4-8-14(13)16/h3-12,15-16H,1-2H3
InChIKeyVWTSNXQMKYKUDW-UHFFFAOYSA-N
MW314.38 g/mol
LogP5.00
Rot. Bonds2

About 3,10-dimethoxypentacyclo[10.6.2.02,11.04,9.013,18]icosa-2,4,6,8,10,13,15,17,19-nonaene

3,10-dimethoxypentacyclo[10.6.2.02,11.04,9.013,18]icosa-2,4,6,8,10,13,15,17,19-nonaene (PubChem CID 91742181) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3,10-dimethoxypentacyclo[10.6.2.02,11.04,9.013,18]icosa-2,4,6,8,10,13,15,17,19-nonaene.

Molecular Properties

Compound Name3,10-dimethoxypentacyclo[10.6.2.02,11.04,9.013,18]icosa-2,4,6,8,10,13,15,17,19-nonaene
PubChem CID91742181
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name3,10-dimethoxypentacyclo[10.6.2.02,11.04,9.013,18]icosa-2,4,6,8,10,13,15,17,19-nonaene
SMILESCOc1c2c(c(OC)c3ccccc13)C1C=CC2c2ccccc21
InChIInChI=1S/C22H18O2/c1-23-21-17-9-5-6-10-18(17)22(24-2)20-16-12-11-15(19(20)21)13-7-3-4-8-14(13)16/h3-12,15-16H,1-2H3
InChIKeyVWTSNXQMKYKUDW-UHFFFAOYSA-N
XLogP5.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,12R)-3,10-dimethoxytetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaene
CID 98153987
9-(4-bromophenyl)-10-methoxyanthracene
CID 178067918
trimethyl-[(10-trimethylsilyloxy-3-hexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2,4,6,8,10,13,15,17,19,21,23-undecaenyl)oxy]silane
CID 11730530
1-methoxy-2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalene
CID 174460458
9-bromo-10-(10-methoxyanthracen-9-yl)anthracene
CID 141476648
4,9-dimethoxybenzo[f][1,3]benzodioxole
CID 12558262
1-(10-methoxyanthracen-9-yl)ethanone
CID 176915779
1-(2-methoxyphenyl)-1H-indene
CID 15345370
10-methoxy-5,10-dihydroindeno[1,2-b]indole
CID 15133177
(1S,12R,13S,14R,16S,17R)-3,10-dimethoxy-15-oxahexacyclo[10.5.1.02,11.04,9.013,17.014,16]octadeca-2,4,6,8,10-pentaene-14,16-dicarbonyl chloride
CID 101057057
3-methoxy-1,2-benzoselenazole
CID 88512786
3-chloro-4-methoxynaphthalene-1,2-diol
CID 13478728

Frequently Asked Questions

What is the IUPAC name of 3,10-dimethoxypentacyclo[10.6.2.02,11.04,9.013,18]icosa-2,4,6,8,10,13,15,17,19-nonaene?
The IUPAC name of 3,10-dimethoxypentacyclo[10.6.2.02,11.04,9.013,18]icosa-2,4,6,8,10,13,15,17,19-nonaene (CID 91742181) is 3,10-dimethoxypentacyclo[10.6.2.02,11.04,9.013,18]icosa-2,4,6,8,10,13,15,17,19-nonaene.
What is the SMILES notation for 3,10-dimethoxypentacyclo[10.6.2.02,11.04,9.013,18]icosa-2,4,6,8,10,13,15,17,19-nonaene?
The canonical SMILES for 3,10-dimethoxypentacyclo[10.6.2.02,11.04,9.013,18]icosa-2,4,6,8,10,13,15,17,19-nonaene is COc1c2c(c(OC)c3ccccc13)C1C=CC2c2ccccc21.
What is the InChIKey of 3,10-dimethoxypentacyclo[10.6.2.02,11.04,9.013,18]icosa-2,4,6,8,10,13,15,17,19-nonaene?
The InChIKey is VWTSNXQMKYKUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c1-23-21-17-9-5-6-10-18(17)22(24-2)20-16-12-11-15(19(20)21)13-7-3-4-8-14(13)16/h3-12,15-16H,1-2H3.
What are the key properties of 3,10-dimethoxypentacyclo[10.6.2.02,11.04,9.013,18]icosa-2,4,6,8,10,13,15,17,19-nonaene?
3,10-dimethoxypentacyclo[10.6.2.02,11.04,9.013,18]icosa-2,4,6,8,10,13,15,17,19-nonaene has a molecular weight of 314.38 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-dimethoxypentacyclo[10.6.2.02,11.04,9.013,18]icosa-2,4,6,8,10,13,15,17,19-nonaene is sourced from PubChem (CID 91742181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).