5-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene

C16H16 — CID 90783732

IUPAC5-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
SMILESCc1ccc2c(c1)CCCc1ccccc1-2
InChIInChI=1S/C16H16/c1-12-9-10-16-14(11-12)7-4-6-13-5-2-3-8-15(13)16/h2-3,5,8-11H,4,6-7H2,1H3
InChIKeyKEWKWMSOBQNUEA-UHFFFAOYSA-N
MW208.30 g/mol
LogP4.15
Rot. Bonds

About 5-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene

5-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene (PubChem CID 90783732) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene.

Molecular Properties

Compound Name5-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
PubChem CID90783732
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name5-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
SMILESCc1ccc2c(c1)CCCc1ccccc1-2
InChIInChI=1S/C16H16/c1-12-9-10-16-14(11-12)7-4-6-13-5-2-3-8-15(13)16/h2-3,5,8-11H,4,6-7H2,1H3
InChIKeyKEWKWMSOBQNUEA-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene with MolForge

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Related Compounds

5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 23561339
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
2,7-dimethyl-9,10-dihydrophenanthrene
CID 23550290
ethane;2-methyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene
CID 91190227
3,10-dimethyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene
CID 21042275
2-methyl-11,12-dihydroindeno[2,1-a]fluorene
CID 91412368
CID 173468028
CID 173468028
6-bromo-3,4-dihydro-2H-naphthalen-1-one;6-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 158909517
N-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 139781117
N-benzyl-6-methyl-3,4-dihydro-2H-naphthalen-1-imine
CID 58410610
9,10-dihydrophenanthrene;ethane
CID 143759681
4-(dimethoxymethylidene)-7-methyl-2,3-dihydro-1H-naphthalene
CID 170033793

Frequently Asked Questions

What is the IUPAC name of 5-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
The IUPAC name of 5-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene (CID 90783732) is 5-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene.
What is the SMILES notation for 5-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
The canonical SMILES for 5-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene is Cc1ccc2c(c1)CCCc1ccccc1-2.
What is the InChIKey of 5-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
The InChIKey is KEWKWMSOBQNUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16/c1-12-9-10-16-14(11-12)7-4-6-13-5-2-3-8-15(13)16/h2-3,5,8-11H,4,6-7H2,1H3.
What are the key properties of 5-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
5-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene has a molecular weight of 208.30 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene is sourced from PubChem (CID 90783732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).