4-(4-tert-butylcyclohexen-1-yl)-1-methylcyclohepta-1,3,5-triene

C18H26 — CID 143734752

IUPAC4-(4-tert-butylcyclohexen-1-yl)-1-methylcyclohepta-1,3,5-triene
SMILESCC1=CC=C(C2=CCC(C(C)(C)C)CC2)C=CC1
InChIInChI=1S/C18H26/c1-14-6-5-7-15(9-8-14)16-10-12-17(13-11-16)18(2,3)4/h5,7-10,17H,6,11-13H2,1-4H3
InChIKeyZTFSFFQMTANTFD-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.59
Rot. Bonds1

About 4-(4-tert-butylcyclohexen-1-yl)-1-methylcyclohepta-1,3,5-triene

4-(4-tert-butylcyclohexen-1-yl)-1-methylcyclohepta-1,3,5-triene (PubChem CID 143734752) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 4-(4-tert-butylcyclohexen-1-yl)-1-methylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name4-(4-tert-butylcyclohexen-1-yl)-1-methylcyclohepta-1,3,5-triene
PubChem CID143734752
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name4-(4-tert-butylcyclohexen-1-yl)-1-methylcyclohepta-1,3,5-triene
SMILESCC1=CC=C(C2=CCC(C(C)(C)C)CC2)C=CC1
InChIInChI=1S/C18H26/c1-14-6-5-7-15(9-8-14)16-10-12-17(13-11-16)18(2,3)4/h5,7-10,17H,6,11-13H2,1-4H3
InChIKeyZTFSFFQMTANTFD-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-tert-butyl-1-methylcyclohexene;ethane
CID 143859971
4-tert-butyl-1-(cyclopenten-1-yl)cyclohexene
CID 102594765
1-(4-tert-butylcyclohexen-1-yl)-4-ethylbenzene
CID 90705107
1-bromo-4-tert-butylcyclohexene
CID 11469993
CID 59694830
CID 59694830
4-tert-butyl-1-ethynylcyclohexene
CID 15783605
1-[4-(4-tert-butylcyclohexen-1-yl)phenyl]ethanone
CID 10422561
1-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene
CID 123336258
1-[(4R)-4-tert-butylcyclohexen-1-yl]naphthalene
CID 139071014
2,3-bis(4-tert-butylcyclohexen-1-yl)-1-benzofuran
CID 135059026
CID 171375076
CID 171375076
(4-tert-butylcyclohexen-1-yl)-trimethylsilane
CID 11052929

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylcyclohexen-1-yl)-1-methylcyclohepta-1,3,5-triene?
The IUPAC name of 4-(4-tert-butylcyclohexen-1-yl)-1-methylcyclohepta-1,3,5-triene (CID 143734752) is 4-(4-tert-butylcyclohexen-1-yl)-1-methylcyclohepta-1,3,5-triene.
What is the SMILES notation for 4-(4-tert-butylcyclohexen-1-yl)-1-methylcyclohepta-1,3,5-triene?
The canonical SMILES for 4-(4-tert-butylcyclohexen-1-yl)-1-methylcyclohepta-1,3,5-triene is CC1=CC=C(C2=CCC(C(C)(C)C)CC2)C=CC1.
What is the InChIKey of 4-(4-tert-butylcyclohexen-1-yl)-1-methylcyclohepta-1,3,5-triene?
The InChIKey is ZTFSFFQMTANTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1-14-6-5-7-15(9-8-14)16-10-12-17(13-11-16)18(2,3)4/h5,7-10,17H,6,11-13H2,1-4H3.
What are the key properties of 4-(4-tert-butylcyclohexen-1-yl)-1-methylcyclohepta-1,3,5-triene?
4-(4-tert-butylcyclohexen-1-yl)-1-methylcyclohepta-1,3,5-triene has a molecular weight of 242.41 g/mol, XLogP of 5.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylcyclohexen-1-yl)-1-methylcyclohepta-1,3,5-triene is sourced from PubChem (CID 143734752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).