15,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene

C18H16 — CID 15668870

IUPAC15,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene
SMILESCC1=C(C)C2c3ccccc3C1c1ccccc12
InChIInChI=1S/C18H16/c1-11-12(2)18-15-9-5-3-7-13(15)17(11)14-8-4-6-10-16(14)18/h3-10,17-18H,1-2H3
InChIKeyQCDGNPQSZHEWJP-UHFFFAOYSA-N
MW232.33 g/mol
LogP4.61
Rot. Bonds

About 15,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene

15,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene (PubChem CID 15668870) has the molecular formula C18H16 and a molecular weight of 232.33 g/mol. Its IUPAC name is 15,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene.

Molecular Properties

Compound Name15,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene
PubChem CID15668870
Molecular FormulaC18H16
Molecular Weight232.33 g/mol
Exact Mass232.13
IUPAC Name15,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene
SMILESCC1=C(C)C2c3ccccc3C1c1ccccc12
InChIInChI=1S/C18H16/c1-11-12(2)18-15-9-5-3-7-13(15)17(11)14-8-4-6-10-16(14)18/h3-10,17-18H,1-2H3
InChIKeyQCDGNPQSZHEWJP-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 15,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene with MolForge

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Related Compounds

4,5,11,12-tetramethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene
CID 4180281
4,5-dimethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),4,9,11,13,15,17,19-octaene-3,6-dione
CID 102426755
15,16-dimethylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
CID 4118963
14-methylnonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol
CID 135043992
4,5,9-trimethyl-9H-fluorene
CID 20673052
bicyclo[4.1.0]hepta-1,3,5-trien-7-amine
CID 69401659
pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-3,13-diamine
CID 24813236
15,16-bis(prop-1-enyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene
CID 91599001
9-[2-(9H-fluoren-9-yl)-4-methylphenyl]-9H-fluorene
CID 174712275
17-thiapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13,15,18-octaene
CID 71206148
nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),4(13),6,8,10,17,19,21,23,25,27,29,31,33-tetradecaene-3,14-dione
CID 139088210
17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13,15,18-octaene
CID 15811660

Frequently Asked Questions

What is the IUPAC name of 15,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene?
The IUPAC name of 15,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene (CID 15668870) is 15,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene.
What is the SMILES notation for 15,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene?
The canonical SMILES for 15,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene is CC1=C(C)C2c3ccccc3C1c1ccccc12.
What is the InChIKey of 15,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene?
The InChIKey is QCDGNPQSZHEWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16/c1-11-12(2)18-15-9-5-3-7-13(15)17(11)14-8-4-6-10-16(14)18/h3-10,17-18H,1-2H3.
What are the key properties of 15,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene?
15,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene has a molecular weight of 232.33 g/mol, XLogP of 4.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene is sourced from PubChem (CID 15668870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).