14-methylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21)-octaene

C22H20 — CID 123585590

IUPAC14-methylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21)-octaene
SMILESCc1cc2c(c3c1Cc1ccc4ccccc4c1-3)CCCC2
InChIInChI=1S/C22H20/c1-14-12-16-7-3-5-9-19(16)22-20(14)13-17-11-10-15-6-2-4-8-18(15)21(17)22/h2,4,6,8,10-12H,3,5,7,9,13H2,1H3
InChIKeyXXODARQDYPWUSU-UHFFFAOYSA-N
MW284.40 g/mol
LogP5.60
Rot. Bonds

About 14-methylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21)-octaene

14-methylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21)-octaene (PubChem CID 123585590) has the molecular formula C22H20 and a molecular weight of 284.40 g/mol. Its IUPAC name is 14-methylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21)-octaene.

Molecular Properties

Compound Name14-methylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21)-octaene
PubChem CID123585590
Molecular FormulaC22H20
Molecular Weight284.40 g/mol
Exact Mass284.16
IUPAC Name14-methylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21)-octaene
SMILESCc1cc2c(c3c1Cc1ccc4ccccc4c1-3)CCCC2
InChIInChI=1S/C22H20/c1-14-12-16-7-3-5-9-19(16)22-20(14)13-17-11-10-15-6-2-4-8-18(15)21(17)22/h2,4,6,8,10-12H,3,5,7,9,13H2,1H3
InChIKeyXXODARQDYPWUSU-UHFFFAOYSA-N
XLogP5.60
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 ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 71127696
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CID 159294979
8,9-dimethyl-7H-benzo[c]fluorene
CID 159520619
pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 2801713
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
13-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-3-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 20758581
1-(4-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)naphthalene
CID 173093718
9,10-dimethyl-11H-benzo[a]fluorene;1,2-dimethyl-11H-benzo[b]fluorene;8,9-dimethyl-7H-benzo[c]fluorene;9,10-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;1,2-dimethyl-7,8,9,11-tetrahydro-6H-benzo[b]fluorene;8,9-dimethyl-2,3,4,7-tetrahydro-1H-benzo[c]fluorene;ethane
CID 159679906
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CID 4558435
heptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,16,21(30),22,24,26,28-tridecaene
CID 11954527
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Frequently Asked Questions

What is the IUPAC name of 14-methylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21)-octaene?
The IUPAC name of 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) is 14-methylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21)-octaene.
What is the SMILES notation for 14-methylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21)-octaene?
The canonical SMILES for 14-methylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21)-octaene is Cc1cc2c(c3c1Cc1ccc4ccccc4c1-3)CCCC2.
What is the InChIKey of 14-methylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21)-octaene?
The InChIKey is XXODARQDYPWUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20/c1-14-12-16-7-3-5-9-19(16)22-20(14)13-17-11-10-15-6-2-4-8-18(15)21(17)22/h2,4,6,8,10-12H,3,5,7,9,13H2,1H3.
What are the key properties of 14-methylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21)-octaene?
14-methylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21)-octaene has a molecular weight of 284.40 g/mol, XLogP of 5.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21)-octaene is sourced from PubChem (CID 123585590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).