13-methyltricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,14-pentaene

C16H18 — CID 142906688

IUPAC13-methyltricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,14-pentaene
SMILESCC1C=CC2=C(CCc3ccccc3C2)C1
InChIInChI=1S/C16H18/c1-12-6-7-16-11-14-5-3-2-4-13(14)8-9-15(16)10-12/h2-7,12H,8-11H2,1H3
InChIKeyVFJUMEGEQIPRAQ-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.07
Rot. Bonds

About 13-methyltricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,14-pentaene

13-methyltricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,14-pentaene (PubChem CID 142906688) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 13-methyltricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,14-pentaene.

Molecular Properties

Compound Name13-methyltricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,14-pentaene
PubChem CID142906688
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name13-methyltricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,14-pentaene
SMILESCC1C=CC2=C(CCc3ccccc3C2)C1
InChIInChI=1S/C16H18/c1-12-6-7-16-11-14-5-3-2-4-13(14)8-9-15(16)10-12/h2-7,12H,8-11H2,1H3
InChIKeyVFJUMEGEQIPRAQ-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;bis(1,2,3,4-tetrahydronaphthalene);tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 161259233
3,7-dimethyl-4,9-dihydro-3H-fluorene
CID 144517340
ethane;(7R)-7-methyl-7,10-dihydrobenzo[a]azulene
CID 145348138
3,10-dimethyl-3,4,9,10-tetrahydrophenanthrene
CID 123300058
2,3-dihydro-1H-indene;2-methyl-2,3-dihydro-1H-indene
CID 159163740
3,4-dihydro-1H-naphthalen-2-ylidenehydrazine
CID 68961550
tert-butyl 10-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,11,13-pentaene-6-carboxylate
CID 150764271
2-methyl-1,2-dihydrotriphenylene
CID 145204096
9,10-dihydroanthracene;methanamine
CID 123513741
ethane;8-methyl-8,11-dihydrocyclohepta[b]thiochromene 5,5-dioxide
CID 164875727
bicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene
CID 161235205
methane;2-methyl-2,3-dihydro-1H-indene
CID 142040721

Frequently Asked Questions

What is the IUPAC name of 13-methyltricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,14-pentaene?
The IUPAC name of 13-methyltricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,14-pentaene (CID 142906688) is 13-methyltricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,14-pentaene.
What is the SMILES notation for 13-methyltricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,14-pentaene?
The canonical SMILES for 13-methyltricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,14-pentaene is CC1C=CC2=C(CCc3ccccc3C2)C1.
What is the InChIKey of 13-methyltricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,14-pentaene?
The InChIKey is VFJUMEGEQIPRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-12-6-7-16-11-14-5-3-2-4-13(14)8-9-15(16)10-12/h2-7,12H,8-11H2,1H3.
What are the key properties of 13-methyltricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,14-pentaene?
13-methyltricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,14-pentaene has a molecular weight of 210.32 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyltricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,14-pentaene is sourced from PubChem (CID 142906688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).