ethane;propane;2,3,5,6-tetramethylcyclohexa-1,3-diene

C19H42 — CID 144517632

IUPACethane;propane;2,3,5,6-tetramethylcyclohexa-1,3-diene
SMILESCC.CC.CC.CC1=CC(C)C(C)C=C1C.CCC
InChIInChI=1S/C10H16.C3H8.3C2H6/c1-7-5-9(3)10(4)6-8(7)2;1-3-2;3*1-2/h5-8H,1-4H3;3H2,1-2H3;3*1-2H3
InChIKeyUBAHPNCFIGMSMG-UHFFFAOYSA-N
MW270.54 g/mol
LogP7.66
Rot. Bonds

About ethane;propane;2,3,5,6-tetramethylcyclohexa-1,3-diene

ethane;propane;2,3,5,6-tetramethylcyclohexa-1,3-diene (PubChem CID 144517632) has the molecular formula C19H42 and a molecular weight of 270.54 g/mol. Its IUPAC name is ethane;propane;2,3,5,6-tetramethylcyclohexa-1,3-diene.

Molecular Properties

Compound Nameethane;propane;2,3,5,6-tetramethylcyclohexa-1,3-diene
PubChem CID144517632
Molecular FormulaC19H42
Molecular Weight270.54 g/mol
Exact Mass270.33
IUPAC Nameethane;propane;2,3,5,6-tetramethylcyclohexa-1,3-diene
SMILESCC.CC.CC.CC1=CC(C)C(C)C=C1C.CCC
InChIInChI=1S/C10H16.C3H8.3C2H6/c1-7-5-9(3)10(4)6-8(7)2;1-3-2;3*1-2/h5-8H,1-4H3;3H2,1-2H3;3*1-2H3
InChIKeyUBAHPNCFIGMSMG-UHFFFAOYSA-N
XLogP7.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.54
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;propane;2,3,5,6-tetramethylcyclohexa-1,3-diene?
The IUPAC name of ethane;propane;2,3,5,6-tetramethylcyclohexa-1,3-diene (CID 144517632) is ethane;propane;2,3,5,6-tetramethylcyclohexa-1,3-diene.
What is the SMILES notation for ethane;propane;2,3,5,6-tetramethylcyclohexa-1,3-diene?
The canonical SMILES for ethane;propane;2,3,5,6-tetramethylcyclohexa-1,3-diene is CC.CC.CC.CC1=CC(C)C(C)C=C1C.CCC.
What is the InChIKey of ethane;propane;2,3,5,6-tetramethylcyclohexa-1,3-diene?
The InChIKey is UBAHPNCFIGMSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C3H8.3C2H6/c1-7-5-9(3)10(4)6-8(7)2;1-3-2;3*1-2/h5-8H,1-4H3;3H2,1-2H3;3*1-2H3.
What are the key properties of ethane;propane;2,3,5,6-tetramethylcyclohexa-1,3-diene?
ethane;propane;2,3,5,6-tetramethylcyclohexa-1,3-diene has a molecular weight of 270.54 g/mol, XLogP of 7.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propane;2,3,5,6-tetramethylcyclohexa-1,3-diene is sourced from PubChem (CID 144517632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).