7-tert-butyl-7-methylcyclohepta-1,3,5-triene

C12H18 — CID 90813280

IUPAC7-tert-butyl-7-methylcyclohepta-1,3,5-triene
SMILESCC(C)(C)C1(C)C=CC=CC=C1
InChIInChI=1S/C12H18/c1-11(2,3)12(4)9-7-5-6-8-10-12/h5-10H,1-4H3
InChIKeyKVGRPKMORUWFLF-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.72
Rot. Bonds

About 7-tert-butyl-7-methylcyclohepta-1,3,5-triene

7-tert-butyl-7-methylcyclohepta-1,3,5-triene (PubChem CID 90813280) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 7-tert-butyl-7-methylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name7-tert-butyl-7-methylcyclohepta-1,3,5-triene
PubChem CID90813280
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name7-tert-butyl-7-methylcyclohepta-1,3,5-triene
SMILESCC(C)(C)C1(C)C=CC=CC=C1
InChIInChI=1S/C12H18/c1-11(2,3)12(4)9-7-5-6-8-10-12/h5-10H,1-4H3
InChIKeyKVGRPKMORUWFLF-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-tert-butyl-7-methyl-3-phenylcyclohepta-1,3,5-triene
CID 143426144
4,4-ditert-butyl-3,3,5,5-tetramethylcyclopentene;ethane
CID 144805565
1,6-ditert-butyl-7-methyl-7-thioniabicyclo[4.1.0]hepta-2,4-diene
CID 10090154
1,6-ditert-butylcyclohexa-2,4-dien-1-amine
CID 176901805
4-tert-butyl-4-methyloxazine
CID 145404738
5,6-ditert-butyl-5-propan-2-ylcyclohexa-1,3-diene
CID 172558729
N-[(1-tert-butylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-2-methylpropan-2-amine
CID 54088718
azane;2-bromo-2,3-dimethylbutane
CID 131989139
5,5-dimethylcyclopenta-1,3-diene;ethane
CID 91022603
5,5-dimethylcyclopenta-1,3-diene;ethane
CID 90745193
N-(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-N',2,2,4,4-pentamethylpentanediamide
CID 163261238
(E)-3-(6-tert-butyl-1-methylcyclohexa-2,4-dien-1-yl)prop-2-enal
CID 141008541

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-7-methylcyclohepta-1,3,5-triene?
The IUPAC name of 7-tert-butyl-7-methylcyclohepta-1,3,5-triene (CID 90813280) is 7-tert-butyl-7-methylcyclohepta-1,3,5-triene.
What is the SMILES notation for 7-tert-butyl-7-methylcyclohepta-1,3,5-triene?
The canonical SMILES for 7-tert-butyl-7-methylcyclohepta-1,3,5-triene is CC(C)(C)C1(C)C=CC=CC=C1.
What is the InChIKey of 7-tert-butyl-7-methylcyclohepta-1,3,5-triene?
The InChIKey is KVGRPKMORUWFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-11(2,3)12(4)9-7-5-6-8-10-12/h5-10H,1-4H3.
What are the key properties of 7-tert-butyl-7-methylcyclohepta-1,3,5-triene?
7-tert-butyl-7-methylcyclohepta-1,3,5-triene has a molecular weight of 162.28 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-7-methylcyclohepta-1,3,5-triene is sourced from PubChem (CID 90813280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).