1-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene;propane

C16H24 — CID 156750988

IUPAC1-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene;propane
SMILESCC1=CC=C(C2=CC=CCC2)CC1.CCC
InChIInChI=1S/C13H16.C3H8/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-3-2/h2-3,5,7,9H,4,6,8,10H2,1H3;3H2,1-2H3
InChIKeyTZGMFTMAHFMDGI-UHFFFAOYSA-N
MW216.37 g/mol
LogP5.35
Rot. Bonds1

About 1-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene;propane

1-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene;propane (PubChem CID 156750988) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene;propane.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene;propane
PubChem CID156750988
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene;propane
SMILESCC1=CC=C(C2=CC=CCC2)CC1.CCC
InChIInChI=1S/C13H16.C3H8/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-3-2/h2-3,5,7,9H,4,6,8,10H2,1H3;3H2,1-2H3
InChIKeyTZGMFTMAHFMDGI-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene;propane?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene;propane (CID 156750988) is 1-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene;propane.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene;propane?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene;propane is CC1=CC=C(C2=CC=CCC2)CC1.CCC.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene;propane?
The InChIKey is TZGMFTMAHFMDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16.C3H8/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-3-2/h2-3,5,7,9H,4,6,8,10H2,1H3;3H2,1-2H3.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene;propane?
1-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene;propane has a molecular weight of 216.37 g/mol, XLogP of 5.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene;propane is sourced from PubChem (CID 156750988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).