ethane;2-methylcyclohexa-1,3-diene;propane

C12H24 — CID 144716952

IUPACethane;2-methylcyclohexa-1,3-diene;propane
SMILESCC.CC1=CCCC=C1.CCC
InChIInChI=1S/C7H10.C3H8.C2H6/c1-7-5-3-2-4-6-7;1-3-2;1-2/h3,5-6H,2,4H2,1H3;3H2,1-2H3;1-2H3
InChIKeyLCUUFNMTBXERDE-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.73
Rot. Bonds

About ethane;2-methylcyclohexa-1,3-diene;propane

ethane;2-methylcyclohexa-1,3-diene;propane (PubChem CID 144716952) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is ethane;2-methylcyclohexa-1,3-diene;propane.

Molecular Properties

Compound Nameethane;2-methylcyclohexa-1,3-diene;propane
PubChem CID144716952
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Nameethane;2-methylcyclohexa-1,3-diene;propane
SMILESCC.CC1=CCCC=C1.CCC
InChIInChI=1S/C7H10.C3H8.C2H6/c1-7-5-3-2-4-6-7;1-3-2;1-2/h3,5-6H,2,4H2,1H3;3H2,1-2H3;1-2H3
InChIKeyLCUUFNMTBXERDE-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylcyclohexa-1,3-diene;propane?
The IUPAC name of ethane;2-methylcyclohexa-1,3-diene;propane (CID 144716952) is ethane;2-methylcyclohexa-1,3-diene;propane.
What is the SMILES notation for ethane;2-methylcyclohexa-1,3-diene;propane?
The canonical SMILES for ethane;2-methylcyclohexa-1,3-diene;propane is CC.CC1=CCCC=C1.CCC.
What is the InChIKey of ethane;2-methylcyclohexa-1,3-diene;propane?
The InChIKey is LCUUFNMTBXERDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.C3H8.C2H6/c1-7-5-3-2-4-6-7;1-3-2;1-2/h3,5-6H,2,4H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methylcyclohexa-1,3-diene;propane?
ethane;2-methylcyclohexa-1,3-diene;propane has a molecular weight of 168.32 g/mol, XLogP of 4.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylcyclohexa-1,3-diene;propane is sourced from PubChem (CID 144716952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).