5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene

C17H18 — CID 23561339

IUPAC5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
SMILESCc1ccc2c(c1)CCCc1cc(C)ccc1-2
InChIInChI=1S/C17H18/c1-12-6-8-16-14(10-12)4-3-5-15-11-13(2)7-9-17(15)16/h6-11H,3-5H2,1-2H3
InChIKeyVWOVGNPEEMNDKC-UHFFFAOYSA-N
MW222.33 g/mol
LogP4.46
Rot. Bonds

About 5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene

5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene (PubChem CID 23561339) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is 5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene.

Molecular Properties

Compound Name5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
PubChem CID23561339
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Name5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
SMILESCc1ccc2c(c1)CCCc1cc(C)ccc1-2
InChIInChI=1S/C17H18/c1-12-6-8-16-14(10-12)4-3-5-15-11-13(2)7-9-17(15)16/h6-11H,3-5H2,1-2H3
InChIKeyVWOVGNPEEMNDKC-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-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

2,7-dimethyl-9,10-dihydrophenanthrene
CID 23550290
5-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
CID 90783732
3,10-dimethyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene
CID 21042275
N-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 139781117
4-(dimethoxymethylidene)-7-methyl-2,3-dihydro-1H-naphthalene
CID 170033793
6-bromo-3,4-dihydro-2H-naphthalen-1-one;6-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 158909517
2,7-dimethyl-9,10-dihydrophenanthrene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;5,14-dimethyltricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene;5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene;3,6,6,9,14,14-hexamethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;bis(3,10,15,15-tetramethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene)
CID 160593140
10,27-dimethylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8(13),9,11,15,19,21,23(31),25(30),26,28,32-pentadecaene
CID 157144570
bis(2,7-dimethyl-9H-fluorene);ethane;methane
CID 159270379
6-methyl-3-methylidene-1,2-dihydroindene
CID 58380222
18-methylpentacyclo[21.4.0.02,7.09,14.015,20]heptacosa-1(27),2,4,6,9,11,13,15(20),16,18,23,25-dodecaene
CID 143650268
2-methyl-7-(trifluoromethyl)-9,10-dihydrophenanthrene
CID 18377956

Frequently Asked Questions

What is the IUPAC name of 5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene?
The IUPAC name of 5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene (CID 23561339) is 5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene.
What is the SMILES notation for 5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene?
The canonical SMILES for 5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene is Cc1ccc2c(c1)CCCc1cc(C)ccc1-2.
What is the InChIKey of 5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene?
The InChIKey is VWOVGNPEEMNDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18/c1-12-6-8-16-14(10-12)4-3-5-15-11-13(2)7-9-17(15)16/h6-11H,3-5H2,1-2H3.
What are the key properties of 5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene?
5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene has a molecular weight of 222.33 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene is sourced from PubChem (CID 23561339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).