(1E,3Z)-1-methyl-3-propylcycloocta-1,3,5-triene

C12H18 — CID 144585615

IUPAC(1E,3Z)-1-methyl-3-propylcycloocta-1,3,5-triene
SMILESCCCC1=C/C=CCC/C(C)=C\1
InChIInChI=1S/C12H18/c1-3-7-12-9-6-4-5-8-11(2)10-12/h4,6,9-10H,3,5,7-8H2,1-2H3/b6-4?,11-10-,12-9-
InChIKeyWBRIDNOQVUNLLR-JNJQPNCWSA-N
MW162.28 g/mol
LogP4.01
Rot. Bonds2

About (1E,3Z)-1-methyl-3-propylcycloocta-1,3,5-triene

(1E,3Z)-1-methyl-3-propylcycloocta-1,3,5-triene (PubChem CID 144585615) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is (1E,3Z)-1-methyl-3-propylcycloocta-1,3,5-triene.

Molecular Properties

Compound Name(1E,3Z)-1-methyl-3-propylcycloocta-1,3,5-triene
PubChem CID144585615
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name(1E,3Z)-1-methyl-3-propylcycloocta-1,3,5-triene
SMILESCCCC1=C/C=CCC/C(C)=C\1
InChIInChI=1S/C12H18/c1-3-7-12-9-6-4-5-8-11(2)10-12/h4,6,9-10H,3,5,7-8H2,1-2H3/b6-4?,11-10-,12-9-
InChIKeyWBRIDNOQVUNLLR-JNJQPNCWSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-methylcyclohexa-1,3-diene
CID 91025584
3-ethyl-1-methylcyclohexa-1,3-diene
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methanamine;1-methylcyclohexa-1,3-diene
CID 142425195
(1Z,3E,7E)-1,7-dimethylcyclodeca-1,3,7-triene
CID 5367028
1-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene;propane
CID 156750988
1-(trideuteriomethyl)cyclohexa-1,3-diene
CID 154587869
(6-methylcyclohepta-1,3,6-trien-1-yl)methanol
CID 142991536
cyclohexa-1,3-dien-1-ol;ethane;propane
CID 143588772
N-butylcyclohexa-1,3-dien-1-amine
CID 144722191
1-methylcyclopenta-1,3-diene;platinum
CID 158937285
(1Z,3Z)-1-methylcyclodeca-1,3-diene
CID 142058765
1-methylcyclodeca-1,3-diene
CID 123810679

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-methyl-3-propylcycloocta-1,3,5-triene?
The IUPAC name of (1E,3Z)-1-methyl-3-propylcycloocta-1,3,5-triene (CID 144585615) is (1E,3Z)-1-methyl-3-propylcycloocta-1,3,5-triene.
What is the SMILES notation for (1E,3Z)-1-methyl-3-propylcycloocta-1,3,5-triene?
The canonical SMILES for (1E,3Z)-1-methyl-3-propylcycloocta-1,3,5-triene is CCCC1=C/C=CCC/C(C)=C\1.
What is the InChIKey of (1E,3Z)-1-methyl-3-propylcycloocta-1,3,5-triene?
The InChIKey is WBRIDNOQVUNLLR-JNJQPNCWSA-N. The full InChI is InChI=1S/C12H18/c1-3-7-12-9-6-4-5-8-11(2)10-12/h4,6,9-10H,3,5,7-8H2,1-2H3/b6-4?,11-10-,12-9-.
What are the key properties of (1E,3Z)-1-methyl-3-propylcycloocta-1,3,5-triene?
(1E,3Z)-1-methyl-3-propylcycloocta-1,3,5-triene has a molecular weight of 162.28 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-methyl-3-propylcycloocta-1,3,5-triene is sourced from PubChem (CID 144585615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).