6,12,12-trimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene

C24H20 — CID 145162693

IUPAC6,12,12-trimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
SMILESCc1ccc2cc3c(cc2c1)-c1cc2ccccc2cc1C3(C)C
InChIInChI=1S/C24H20/c1-15-8-9-18-14-23-21(12-19(18)10-15)20-11-16-6-4-5-7-17(16)13-22(20)24(23,2)3/h4-14H,1-3H3
InChIKeyBGHUFISSRSCBJH-UHFFFAOYSA-N
MW308.42 g/mol
LogP6.61
Rot. Bonds

About 6,12,12-trimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene

6,12,12-trimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene (PubChem CID 145162693) has the molecular formula C24H20 and a molecular weight of 308.42 g/mol. Its IUPAC name is 6,12,12-trimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene.

Molecular Properties

Compound Name6,12,12-trimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
PubChem CID145162693
Molecular FormulaC24H20
Molecular Weight308.42 g/mol
Exact Mass308.16
IUPAC Name6,12,12-trimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
SMILESCc1ccc2cc3c(cc2c1)-c1cc2ccccc2cc1C3(C)C
InChIInChI=1S/C24H20/c1-15-8-9-18-14-23-21(12-19(18)10-15)20-11-16-6-4-5-7-17(16)13-22(20)24(23,2)3/h4-14H,1-3H3
InChIKeyBGHUFISSRSCBJH-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane
CID 91266782
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;naphthalene
CID 158911648
2-methylnaphthalene;2,9,9-trimethylfluorene
CID 144639676
10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane
CID 91112944
16,16-dimethylheptacyclo[15.12.0.02,15.04,13.06,11.019,28.020,25]nonacosa-1(17),2,4,6,8,10,12,14,18,20,22,24,26,28-tetradecaene;ethane
CID 90721632
2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(2,6-dimethylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130289799
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane;ethene;methane;bis(prop-1-ene)
CID 145137691
7,9,9-trimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine
CID 70902516
benzene;2-methylnaphthalene
CID 159438891
2-methylnaphthalene chloride
CID 21193556
2-methylnaphthalene;dihydrate
CID 174912803

Frequently Asked Questions

What is the IUPAC name of 6,12,12-trimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?
The IUPAC name of 6,12,12-trimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene (CID 145162693) is 6,12,12-trimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene.
What is the SMILES notation for 6,12,12-trimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?
The canonical SMILES for 6,12,12-trimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene is Cc1ccc2cc3c(cc2c1)-c1cc2ccccc2cc1C3(C)C.
What is the InChIKey of 6,12,12-trimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?
The InChIKey is BGHUFISSRSCBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20/c1-15-8-9-18-14-23-21(12-19(18)10-15)20-11-16-6-4-5-7-17(16)13-22(20)24(23,2)3/h4-14H,1-3H3.
What are the key properties of 6,12,12-trimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?
6,12,12-trimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene has a molecular weight of 308.42 g/mol, XLogP of 6.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12,12-trimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene is sourced from PubChem (CID 145162693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).