1-tert-butyl-3-propylcyclohexa-1,3-diene;ethane

C15H28 — CID 145378812

IUPAC1-tert-butyl-3-propylcyclohexa-1,3-diene;ethane
SMILESCC.CCCC1=CCCC(C(C)(C)C)=C1
InChIInChI=1S/C13H22.C2H6/c1-5-7-11-8-6-9-12(10-11)13(2,3)4;1-2/h8,10H,5-7,9H2,1-4H3;1-2H3
InChIKeyLAWJJOJWQZFRTJ-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.51
Rot. Bonds2

About 1-tert-butyl-3-propylcyclohexa-1,3-diene;ethane

1-tert-butyl-3-propylcyclohexa-1,3-diene;ethane (PubChem CID 145378812) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1-tert-butyl-3-propylcyclohexa-1,3-diene;ethane.

Molecular Properties

Compound Name1-tert-butyl-3-propylcyclohexa-1,3-diene;ethane
PubChem CID145378812
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1-tert-butyl-3-propylcyclohexa-1,3-diene;ethane
SMILESCC.CCCC1=CCCC(C(C)(C)C)=C1
InChIInChI=1S/C13H22.C2H6/c1-5-7-11-8-6-9-12(10-11)13(2,3)4;1-2/h8,10H,5-7,9H2,1-4H3;1-2H3
InChIKeyLAWJJOJWQZFRTJ-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[(5-tert-butylcyclohexa-1,5-dien-1-yl)methyl]morpholine
CID 126724586
6-tert-butyl-2-methylcyclohepta-2,6-dien-1-imine
CID 91437087
tetrakis(1,3-dipropylcyclopenta-1,3-diene);zirconium;dichloride
CID 22617565
4-propylcyclohepta-1,2,4-triene
CID 143613621
CID 145359118
CID 145359118
3-ethyl-1-methylcyclohexa-1,3-diene
CID 91479514
ethane;2-propylcyclopenta-1,3-diene
CID 142052577
1-tert-butylcyclopentene
CID 13414410
2-propyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene
CID 143596428
1-tert-butylcyclopentene;methane
CID 160666410
bis(1-tert-butyl-3-propylcyclopenta-1,3-diene);carbanide;silylidenetitanium;dihydrochloride
CID 173304762
1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-propylnaphthalene
CID 139928105

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-propylcyclohexa-1,3-diene;ethane?
The IUPAC name of 1-tert-butyl-3-propylcyclohexa-1,3-diene;ethane (CID 145378812) is 1-tert-butyl-3-propylcyclohexa-1,3-diene;ethane.
What is the SMILES notation for 1-tert-butyl-3-propylcyclohexa-1,3-diene;ethane?
The canonical SMILES for 1-tert-butyl-3-propylcyclohexa-1,3-diene;ethane is CC.CCCC1=CCCC(C(C)(C)C)=C1.
What is the InChIKey of 1-tert-butyl-3-propylcyclohexa-1,3-diene;ethane?
The InChIKey is LAWJJOJWQZFRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22.C2H6/c1-5-7-11-8-6-9-12(10-11)13(2,3)4;1-2/h8,10H,5-7,9H2,1-4H3;1-2H3.
What are the key properties of 1-tert-butyl-3-propylcyclohexa-1,3-diene;ethane?
1-tert-butyl-3-propylcyclohexa-1,3-diene;ethane has a molecular weight of 208.39 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-propylcyclohexa-1,3-diene;ethane is sourced from PubChem (CID 145378812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).