5,6-bis(ethenyl)-9-methyl-9H-cyclohepta[a]naphthalene;ethane

C24H30 — CID 144590407

IUPAC5,6-bis(ethenyl)-9-methyl-9H-cyclohepta[a]naphthalene;ethane
SMILESC=Cc1c2c(c3ccccc3c1C=C)C=CC(C)C=C2.CC.CC
InChIInChI=1S/C20H18.2C2H6/c1-4-15-16(5-2)19-12-10-14(3)11-13-20(19)18-9-7-6-8-17(15)18;2*1-2/h4-14H,1-2H2,3H3;2*1-2H3
InChIKeyDWCKFJGDSDUHRM-UHFFFAOYSA-N
MW318.50 g/mol
LogP7.85
Rot. Bonds2

About 5,6-bis(ethenyl)-9-methyl-9H-cyclohepta[a]naphthalene;ethane

5,6-bis(ethenyl)-9-methyl-9H-cyclohepta[a]naphthalene;ethane (PubChem CID 144590407) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-9-methyl-9H-cyclohepta[a]naphthalene;ethane.

Molecular Properties

Compound Name5,6-bis(ethenyl)-9-methyl-9H-cyclohepta[a]naphthalene;ethane
PubChem CID144590407
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Name5,6-bis(ethenyl)-9-methyl-9H-cyclohepta[a]naphthalene;ethane
SMILESC=Cc1c2c(c3ccccc3c1C=C)C=CC(C)C=C2.CC.CC
InChIInChI=1S/C20H18.2C2H6/c1-4-15-16(5-2)19-12-10-14(3)11-13-20(19)18-9-7-6-8-17(15)18;2*1-2/h4-14H,1-2H2,3H3;2*1-2H3
InChIKeyDWCKFJGDSDUHRM-UHFFFAOYSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5,6-bis(ethenyl)-9-methyl-9H-cyclohepta[a]naphthalene;ethane 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

8,9-bis(ethenyl)tetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene;ethane
CID 143846018
ethane;9-methyl-9H-cyclohepta[a]naphthalene
CID 143739636
9-ethenyl-10-methylphenanthrene
CID 123648763
ethane;8-methyl-5,8-dihydrocyclohepta[b]indole
CID 142064594
1,2-bis(ethenyl)-3,5-dimethylbenzo[10]annulene
CID 143743667
ethane;6-ethenyl-5-[(Z)-prop-1-enyl]benzo[f]quinoxaline
CID 145189562
5,6-bis(ethenyl)benzo[f]quinoxaline
CID 145147598
14-methyl-18-oxatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17),12,15-octaene
CID 142593040
2-methyl-1,2-dihydrotriphenylene
CID 145204096
1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane
CID 143099406
1,2-bis(ethenyl)benzene;ethane;prop-1-ene
CID 143139503
1-ethenyl-2-methylphenanthrene
CID 18927842

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethenyl)-9-methyl-9H-cyclohepta[a]naphthalene;ethane?
The IUPAC name of 5,6-bis(ethenyl)-9-methyl-9H-cyclohepta[a]naphthalene;ethane (CID 144590407) is 5,6-bis(ethenyl)-9-methyl-9H-cyclohepta[a]naphthalene;ethane.
What is the SMILES notation for 5,6-bis(ethenyl)-9-methyl-9H-cyclohepta[a]naphthalene;ethane?
The canonical SMILES for 5,6-bis(ethenyl)-9-methyl-9H-cyclohepta[a]naphthalene;ethane is C=Cc1c2c(c3ccccc3c1C=C)C=CC(C)C=C2.CC.CC.
What is the InChIKey of 5,6-bis(ethenyl)-9-methyl-9H-cyclohepta[a]naphthalene;ethane?
The InChIKey is DWCKFJGDSDUHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18.2C2H6/c1-4-15-16(5-2)19-12-10-14(3)11-13-20(19)18-9-7-6-8-17(15)18;2*1-2/h4-14H,1-2H2,3H3;2*1-2H3.
What are the key properties of 5,6-bis(ethenyl)-9-methyl-9H-cyclohepta[a]naphthalene;ethane?
5,6-bis(ethenyl)-9-methyl-9H-cyclohepta[a]naphthalene;ethane has a molecular weight of 318.50 g/mol, XLogP of 7.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethenyl)-9-methyl-9H-cyclohepta[a]naphthalene;ethane is sourced from PubChem (CID 144590407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).