ethane;1,3,5,6-tetramethylcyclohexa-1,3-diene

C12H22 — CID 142929908

IUPACethane;1,3,5,6-tetramethylcyclohexa-1,3-diene
SMILESCC.CC1=CC(C)C(C)C(C)=C1
InChIInChI=1S/C10H16.C2H6/c1-7-5-8(2)10(4)9(3)6-7;1-2/h5-6,8,10H,1-4H3;1-2H3
InChIKeyBXBOMGPZUNBHGM-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.19
Rot. Bonds

About ethane;1,3,5,6-tetramethylcyclohexa-1,3-diene

ethane;1,3,5,6-tetramethylcyclohexa-1,3-diene (PubChem CID 142929908) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is ethane;1,3,5,6-tetramethylcyclohexa-1,3-diene.

Molecular Properties

Compound Nameethane;1,3,5,6-tetramethylcyclohexa-1,3-diene
PubChem CID142929908
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Nameethane;1,3,5,6-tetramethylcyclohexa-1,3-diene
SMILESCC.CC1=CC(C)C(C)C(C)=C1
InChIInChI=1S/C10H16.C2H6/c1-7-5-8(2)10(4)9(3)6-7;1-2/h5-6,8,10H,1-4H3;1-2H3
InChIKeyBXBOMGPZUNBHGM-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;1,3,5,6-tetramethylcyclohexa-1,3-diene?
The IUPAC name of ethane;1,3,5,6-tetramethylcyclohexa-1,3-diene (CID 142929908) is ethane;1,3,5,6-tetramethylcyclohexa-1,3-diene.
What is the SMILES notation for ethane;1,3,5,6-tetramethylcyclohexa-1,3-diene?
The canonical SMILES for ethane;1,3,5,6-tetramethylcyclohexa-1,3-diene is CC.CC1=CC(C)C(C)C(C)=C1.
What is the InChIKey of ethane;1,3,5,6-tetramethylcyclohexa-1,3-diene?
The InChIKey is BXBOMGPZUNBHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C2H6/c1-7-5-8(2)10(4)9(3)6-7;1-2/h5-6,8,10H,1-4H3;1-2H3.
What are the key properties of ethane;1,3,5,6-tetramethylcyclohexa-1,3-diene?
ethane;1,3,5,6-tetramethylcyclohexa-1,3-diene has a molecular weight of 166.31 g/mol, XLogP of 4.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3,5,6-tetramethylcyclohexa-1,3-diene is sourced from PubChem (CID 142929908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).