2,4-dimethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene

C20H16 — CID 168732430

IUPAC2,4-dimethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene
SMILESCc1cc(C)c2c3c1Cc1ccc4cccc(c4c1-3)C2
InChIInChI=1S/C20H16/c1-11-8-12(2)17-10-15-7-6-13-4-3-5-14-9-16(11)20(17)19(15)18(13)14/h3-8H,9-10H2,1-2H3
InChIKeyLVHGOZKLFRFAQQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.93
Rot. Bonds

About 2,4-dimethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene

2,4-dimethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene (PubChem CID 168732430) has the molecular formula C20H16 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2,4-dimethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene.

Molecular Properties

Compound Name2,4-dimethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene
PubChem CID168732430
Molecular FormulaC20H16
Molecular Weight256.35 g/mol
Exact Mass256.13
IUPAC Name2,4-dimethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene
SMILESCc1cc(C)c2c3c1Cc1ccc4cccc(c4c1-3)C2
InChIInChI=1S/C20H16/c1-11-8-12(2)17-10-15-7-6-13-4-3-5-14-9-16(11)20(17)19(15)18(13)14/h3-8H,9-10H2,1-2H3
InChIKeyLVHGOZKLFRFAQQ-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3,4,5-tetramethyl-9H-fluorene
CID 158222365
14-methylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21)-octaene
CID 123585590
7-methylpentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 160819244
3,20-dimethylpentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
CID 166496732
8-fluoro-2H-acenaphthylen-1-one
CID 594034
hexacyclo[18.2.1.02,11.04,9.013,22.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaene
CID 21087833
4,5-dimethyl-9H-fluorene
CID 14389533
13,14-dimethylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8(17),9,11(16),13,15(19)-nonaene
CID 177091322
2-methyl-1H-phenalene
CID 71398400
7-methylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 158908888
8,9-dimethyl-7H-benzo[c]fluorene
CID 159520619
3,6-dimethyl-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
CID 177264730

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene?
The IUPAC name of 2,4-dimethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene (CID 168732430) is 2,4-dimethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene.
What is the SMILES notation for 2,4-dimethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene?
The canonical SMILES for 2,4-dimethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene is Cc1cc(C)c2c3c1Cc1ccc4cccc(c4c1-3)C2.
What is the InChIKey of 2,4-dimethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene?
The InChIKey is LVHGOZKLFRFAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16/c1-11-8-12(2)17-10-15-7-6-13-4-3-5-14-9-16(11)20(17)19(15)18(13)14/h3-8H,9-10H2,1-2H3.
What are the key properties of 2,4-dimethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene?
2,4-dimethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene has a molecular weight of 256.35 g/mol, XLogP of 4.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene is sourced from PubChem (CID 168732430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).