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

C27H50 — CID 159843213

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

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Related Compounds

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CID 123605160
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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).