5-tert-butyl-3-ethyl-2-methylcyclohepta-1,3,5-triene

C14H22 — CID 91336827

IUPAC5-tert-butyl-3-ethyl-2-methylcyclohepta-1,3,5-triene
SMILESCCC1=CC(C(C)(C)C)=CCC=C1C
InChIInChI=1S/C14H22/c1-6-12-10-13(14(3,4)5)9-7-8-11(12)2/h8-10H,6-7H2,1-5H3
InChIKeyNCLRXSPHDDLWST-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.65
Rot. Bonds1

About 5-tert-butyl-3-ethyl-2-methylcyclohepta-1,3,5-triene

5-tert-butyl-3-ethyl-2-methylcyclohepta-1,3,5-triene (PubChem CID 91336827) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 5-tert-butyl-3-ethyl-2-methylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name5-tert-butyl-3-ethyl-2-methylcyclohepta-1,3,5-triene
PubChem CID91336827
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name5-tert-butyl-3-ethyl-2-methylcyclohepta-1,3,5-triene
SMILESCCC1=CC(C(C)(C)C)=CCC=C1C
InChIInChI=1S/C14H22/c1-6-12-10-13(14(3,4)5)9-7-8-11(12)2/h8-10H,6-7H2,1-5H3
InChIKeyNCLRXSPHDDLWST-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-diethyl-5-methylcyclohepta-1,3,5-triene
CID 142887028
2-tert-butyl-3-ethylcyclohexa-1,3-diene
CID 144507015
dichlorotitanium;2,3-diethylcyclopenta-1,3-diene
CID 174352745
3,5-dimethyl-2-propylcyclohepta-1,3,5-triene
CID 123372728
3,5-diethyl-2-methylcyclohexa-1,3-diene
CID 142581165
ethane;3-ethyl-2,5-dimethylcyclohexa-1,3-diene
CID 142036504
N-ethenyl-1-(5-ethyl-6-methylcyclohepta-1,4,6-trien-1-yl)methanimine
CID 142943375
4-tert-butyl-1,2-bis(methoxymethyl)cyclohexa-2,4-dien-1-ol
CID 70622316
2,3-ditert-butylcyclopenta-1,3-diene;dihydrochloride
CID 175479937
4-(3-tert-butyl-6-ethylcyclohepta-1,3,6-trien-1-yl)butan-1-amine
CID 134446919
bis(2-ethyl-3-methylcyclopenta-1,3-diene);zirconium(2+);dihydrochloride
CID 87674700
(3-ethyl-2-methyl-7-propylcyclohepta-1,3,6-trien-1-yl)phosphane
CID 166651426

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-ethyl-2-methylcyclohepta-1,3,5-triene?
The IUPAC name of 5-tert-butyl-3-ethyl-2-methylcyclohepta-1,3,5-triene (CID 91336827) is 5-tert-butyl-3-ethyl-2-methylcyclohepta-1,3,5-triene.
What is the SMILES notation for 5-tert-butyl-3-ethyl-2-methylcyclohepta-1,3,5-triene?
The canonical SMILES for 5-tert-butyl-3-ethyl-2-methylcyclohepta-1,3,5-triene is CCC1=CC(C(C)(C)C)=CCC=C1C.
What is the InChIKey of 5-tert-butyl-3-ethyl-2-methylcyclohepta-1,3,5-triene?
The InChIKey is NCLRXSPHDDLWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-6-12-10-13(14(3,4)5)9-7-8-11(12)2/h8-10H,6-7H2,1-5H3.
What are the key properties of 5-tert-butyl-3-ethyl-2-methylcyclohepta-1,3,5-triene?
5-tert-butyl-3-ethyl-2-methylcyclohepta-1,3,5-triene has a molecular weight of 190.33 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-ethyl-2-methylcyclohepta-1,3,5-triene is sourced from PubChem (CID 91336827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).