Skip to content

Ethane;methane;1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;toluene

C27H50 — CID 159843213

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethane;methane;1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;toluene
SMILESC.C.CC.CC.CC.CC1=CC=CC1.CC1=CCC=C1.Cc1ccccc1
InChIInChI=1S/C7H8.2C6H8.3C2H6.2CH4/c1-7-5-3-2-4-6-7;2*1-6-4-2-3-5-6;3*1-2;;/h2-6H,1H3;2,4-5H,3H2,1H3;2-4H,5H2,1H3;3*1-2H3;2*1H4
InChIKeyNOYKWIHURVMWGK-UHFFFAOYSA-N
MW374.70 g/mol
LogP10.13
Rot. Bonds

About Ethane;methane;1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;toluene

Ethane;methane;1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;toluene (PubChem CID 159843213) has the molecular formula C27H50 and a molecular weight of 374.70 g/mol. Its IUPAC name is ethane;methane;1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;toluene.

Molecular Properties

Compound NameEthane;methane;1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;toluene
PubChem CID159843213
Molecular FormulaC27H50
Molecular Weight374.70 g/mol
Exact Mass374.39
IUPAC Nameethane;methane;1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;toluene
SMILESC.C.CC.CC.CC.CC1=CC=CC1.CC1=CCC=C1.Cc1ccccc1
InChIInChI=1S/C7H8.2C6H8.3C2H6.2CH4/c1-7-5-3-2-4-6-7;2*1-6-4-2-3-5-6;3*1-2;;/h2-6H,1H3;2,4-5H,3H2,1H3;2-4H,5H2,1H3;3*1-2H3;2*1H4
InChIKeyNOYKWIHURVMWGK-UHFFFAOYSA-N
XLogP10.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.70
LogP ≤ 510.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze Ethane;methane;1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;toluene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Ethane;methane;1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;toluene?
The IUPAC name of Ethane;methane;1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;toluene (CID 159843213) is ethane;methane;1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;toluene.
What is the SMILES notation for Ethane;methane;1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;toluene?
The canonical SMILES for Ethane;methane;1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;toluene is C.C.CC.CC.CC.CC1=CC=CC1.CC1=CCC=C1.Cc1ccccc1.
What is the InChIKey of Ethane;methane;1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;toluene?
The InChIKey is NOYKWIHURVMWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.2C6H8.3C2H6.2CH4/c1-7-5-3-2-4-6-7;2*1-6-4-2-3-5-6;3*1-2;;/h2-6H,1H3;2,4-5H,3H2,1H3;2-4H,5H2,1H3;3*1-2H3;2*1H4.
What are the key properties of Ethane;methane;1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;toluene?
Ethane;methane;1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;toluene has a molecular weight of 374.70 g/mol, XLogP of 10.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Ethane;methane;1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;toluene is sourced from PubChem (CID 159843213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.