ethane;1-methylcyclohexa-1,3-diene

C11H22 — CID 91025584

IUPACethane;1-methylcyclohexa-1,3-diene
SMILESCC.CC.CC1=CC=CCC1
InChIInChI=1S/C7H10.2C2H6/c1-7-5-3-2-4-6-7;2*1-2/h2-3,5H,4,6H2,1H3;2*1-2H3
InChIKeyYKWYGLUQOOKYNG-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.34
Rot. Bonds

About ethane;1-methylcyclohexa-1,3-diene

ethane;1-methylcyclohexa-1,3-diene (PubChem CID 91025584) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is ethane;1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Nameethane;1-methylcyclohexa-1,3-diene
PubChem CID91025584
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Nameethane;1-methylcyclohexa-1,3-diene
SMILESCC.CC.CC1=CC=CCC1
InChIInChI=1S/C7H10.2C2H6/c1-7-5-3-2-4-6-7;2*1-2/h2-3,5H,4,6H2,1H3;2*1-2H3
InChIKeyYKWYGLUQOOKYNG-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methylcyclohexa-1,3-diene?
The IUPAC name of ethane;1-methylcyclohexa-1,3-diene (CID 91025584) is ethane;1-methylcyclohexa-1,3-diene.
What is the SMILES notation for ethane;1-methylcyclohexa-1,3-diene?
The canonical SMILES for ethane;1-methylcyclohexa-1,3-diene is CC.CC.CC1=CC=CCC1.
What is the InChIKey of ethane;1-methylcyclohexa-1,3-diene?
The InChIKey is YKWYGLUQOOKYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.2C2H6/c1-7-5-3-2-4-6-7;2*1-2/h2-3,5H,4,6H2,1H3;2*1-2H3.
What are the key properties of ethane;1-methylcyclohexa-1,3-diene?
ethane;1-methylcyclohexa-1,3-diene has a molecular weight of 154.30 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 91025584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).