2,3-diethyl-5-methylcyclohepta-1,3,5-triene

C12H18 — CID 142887028

IUPAC2,3-diethyl-5-methylcyclohepta-1,3,5-triene
SMILESCCC1=CCC=C(C)C=C1CC
InChIInChI=1S/C12H18/c1-4-11-8-6-7-10(3)9-12(11)5-2/h7-9H,4-6H2,1-3H3
InChIKeyMCMVOQAINHLSQC-UHFFFAOYSA-N
MW162.28 g/mol
LogP4.01
Rot. Bonds2

About 2,3-diethyl-5-methylcyclohepta-1,3,5-triene

2,3-diethyl-5-methylcyclohepta-1,3,5-triene (PubChem CID 142887028) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 2,3-diethyl-5-methylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name2,3-diethyl-5-methylcyclohepta-1,3,5-triene
PubChem CID142887028
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name2,3-diethyl-5-methylcyclohepta-1,3,5-triene
SMILESCCC1=CCC=C(C)C=C1CC
InChIInChI=1S/C12H18/c1-4-11-8-6-7-10(3)9-12(11)5-2/h7-9H,4-6H2,1-3H3
InChIKeyMCMVOQAINHLSQC-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-5-methylcyclohepta-1,3,5-triene?
The IUPAC name of 2,3-diethyl-5-methylcyclohepta-1,3,5-triene (CID 142887028) is 2,3-diethyl-5-methylcyclohepta-1,3,5-triene.
What is the SMILES notation for 2,3-diethyl-5-methylcyclohepta-1,3,5-triene?
The canonical SMILES for 2,3-diethyl-5-methylcyclohepta-1,3,5-triene is CCC1=CCC=C(C)C=C1CC.
What is the InChIKey of 2,3-diethyl-5-methylcyclohepta-1,3,5-triene?
The InChIKey is MCMVOQAINHLSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-4-11-8-6-7-10(3)9-12(11)5-2/h7-9H,4-6H2,1-3H3.
What are the key properties of 2,3-diethyl-5-methylcyclohepta-1,3,5-triene?
2,3-diethyl-5-methylcyclohepta-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 2,3-diethyl-5-methylcyclohepta-1,3,5-triene is sourced from PubChem (CID 142887028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).