10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene

C22H20 — CID 10755502

IUPAC10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
SMILESCc1ccc(C)c2c1Cc1ccccc1-c1ccccc1C2
InChIInChI=1S/C22H20/c1-15-11-12-16(2)22-14-18-8-4-6-10-20(18)19-9-5-3-7-17(19)13-21(15)22/h3-12H,13-14H2,1-2H3
InChIKeyXIJBNOAVJVZWNB-UHFFFAOYSA-N
MW284.40 g/mol
LogP5.47
Rot. Bonds

About 10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene

10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene (PubChem CID 10755502) has the molecular formula C22H20 and a molecular weight of 284.40 g/mol. Its IUPAC name is 10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene.

Molecular Properties

Compound Name10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
PubChem CID10755502
Molecular FormulaC22H20
Molecular Weight284.40 g/mol
Exact Mass284.16
IUPAC Name10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
SMILESCc1ccc(C)c2c1Cc1ccccc1-c1ccccc1C2
InChIInChI=1S/C22H20/c1-15-11-12-16(2)22-14-18-8-4-6-10-20(18)19-9-5-3-7-17(19)13-21(15)22/h3-12H,13-14H2,1-2H3
InChIKeyXIJBNOAVJVZWNB-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene?
The IUPAC name of 10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene (CID 10755502) is 10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene.
What is the SMILES notation for 10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene?
The canonical SMILES for 10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene is Cc1ccc(C)c2c1Cc1ccccc1-c1ccccc1C2.
What is the InChIKey of 10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene?
The InChIKey is XIJBNOAVJVZWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20/c1-15-11-12-16(2)22-14-18-8-4-6-10-20(18)19-9-5-3-7-17(19)13-21(15)22/h3-12H,13-14H2,1-2H3.
What are the key properties of 10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene?
10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene has a molecular weight of 284.40 g/mol, XLogP of 5.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene is sourced from PubChem (CID 10755502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).