14,16-dimethyltetracyclo[12.2.1.03,8.010,16]heptadeca-1,3,5,7,9,11-hexaene

C19H20 — CID 145173414

IUPAC14,16-dimethyltetracyclo[12.2.1.03,8.010,16]heptadeca-1,3,5,7,9,11-hexaene
SMILESCC12CC=CC3=Cc4ccccc4C=C(C1)C3(C)C2
InChIInChI=1S/C19H20/c1-18-9-5-8-16-10-14-6-3-4-7-15(14)11-17(12-18)19(16,2)13-18/h3-8,10-11H,9,12-13H2,1-2H3
InChIKeyWPABZBHQSKDPNP-UHFFFAOYSA-N
MW248.37 g/mol
LogP5.23
Rot. Bonds

About 14,16-dimethyltetracyclo[12.2.1.03,8.010,16]heptadeca-1,3,5,7,9,11-hexaene

14,16-dimethyltetracyclo[12.2.1.03,8.010,16]heptadeca-1,3,5,7,9,11-hexaene (PubChem CID 145173414) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 14,16-dimethyltetracyclo[12.2.1.03,8.010,16]heptadeca-1,3,5,7,9,11-hexaene.

Molecular Properties

Compound Name14,16-dimethyltetracyclo[12.2.1.03,8.010,16]heptadeca-1,3,5,7,9,11-hexaene
PubChem CID145173414
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name14,16-dimethyltetracyclo[12.2.1.03,8.010,16]heptadeca-1,3,5,7,9,11-hexaene
SMILESCC12CC=CC3=Cc4ccccc4C=C(C1)C3(C)C2
InChIInChI=1S/C19H20/c1-18-9-5-8-16-10-14-6-3-4-7-15(14)11-17(12-18)19(16,2)13-18/h3-8,10-11H,9,12-13H2,1-2H3
InChIKeyWPABZBHQSKDPNP-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 14,16-dimethyltetracyclo[12.2.1.03,8.010,16]heptadeca-1,3,5,7,9,11-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-iodo-1-methyl-2H-naphthalene
CID 70994491
1,1'-spirobi[2H-naphthalene]
CID 158698330
10,11,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3,5,7,9,12,14-heptaene
CID 145173461
(1-methyl-2H-naphthalen-1-yl)methanamine
CID 71302086
1-[(1-hydroxy-2H-naphthalen-1-yl)sulfanyl]-2H-naphthalen-1-ol
CID 70302802
6-(4-bromophenyl)-1,1-dimethyl-2H-naphthalene
CID 70259352
1-(chloromethyl)-1-methoxy-2H-naphthalene
CID 155163212
1-methoxy-2H-naphthalen-1-amine
CID 141164754
1,1,3,3-tetramethylspiro[cyclobutane-2,1'-indene]
CID 58564330
6,6,8,8-tetramethyl-7,9-dihydro-5H-benzo[7]annulene
CID 23270637
3a-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinoline
CID 102386267
(5R)-5-methyl-5-(4-methylphenyl)cyclopent-2-en-1-one
CID 102317256

Frequently Asked Questions

What is the IUPAC name of 14,16-dimethyltetracyclo[12.2.1.03,8.010,16]heptadeca-1,3,5,7,9,11-hexaene?
The IUPAC name of 14,16-dimethyltetracyclo[12.2.1.03,8.010,16]heptadeca-1,3,5,7,9,11-hexaene (CID 145173414) is 14,16-dimethyltetracyclo[12.2.1.03,8.010,16]heptadeca-1,3,5,7,9,11-hexaene.
What is the SMILES notation for 14,16-dimethyltetracyclo[12.2.1.03,8.010,16]heptadeca-1,3,5,7,9,11-hexaene?
The canonical SMILES for 14,16-dimethyltetracyclo[12.2.1.03,8.010,16]heptadeca-1,3,5,7,9,11-hexaene is CC12CC=CC3=Cc4ccccc4C=C(C1)C3(C)C2.
What is the InChIKey of 14,16-dimethyltetracyclo[12.2.1.03,8.010,16]heptadeca-1,3,5,7,9,11-hexaene?
The InChIKey is WPABZBHQSKDPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20/c1-18-9-5-8-16-10-14-6-3-4-7-15(14)11-17(12-18)19(16,2)13-18/h3-8,10-11H,9,12-13H2,1-2H3.
What are the key properties of 14,16-dimethyltetracyclo[12.2.1.03,8.010,16]heptadeca-1,3,5,7,9,11-hexaene?
14,16-dimethyltetracyclo[12.2.1.03,8.010,16]heptadeca-1,3,5,7,9,11-hexaene has a molecular weight of 248.37 g/mol, XLogP of 5.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14,16-dimethyltetracyclo[12.2.1.03,8.010,16]heptadeca-1,3,5,7,9,11-hexaene is sourced from PubChem (CID 145173414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).