1-bromo-4-tert-butylcyclohexene

C10H17Br — CID 11469993

IUPAC1-bromo-4-tert-butylcyclohexene
SMILESCC(C)(C)C1CC=C(Br)CC1
InChIInChI=1S/C10H17Br/c1-10(2,3)8-4-6-9(11)7-5-8/h6,8H,4-5,7H2,1-3H3
InChIKeyRKWFCRMSUIJAOJ-UHFFFAOYSA-N
MW217.15 g/mol
LogP4.11
Rot. Bonds

About 1-bromo-4-tert-butylcyclohexene

1-bromo-4-tert-butylcyclohexene (PubChem CID 11469993) has the molecular formula C10H17Br and a molecular weight of 217.15 g/mol. Its IUPAC name is 1-bromo-4-tert-butylcyclohexene.

Molecular Properties

Compound Name1-bromo-4-tert-butylcyclohexene
PubChem CID11469993
Molecular FormulaC10H17Br
Molecular Weight217.15 g/mol
Exact Mass216.05
IUPAC Name1-bromo-4-tert-butylcyclohexene
SMILESCC(C)(C)C1CC=C(Br)CC1
InChIInChI=1S/C10H17Br/c1-10(2,3)8-4-6-9(11)7-5-8/h6,8H,4-5,7H2,1-3H3
InChIKeyRKWFCRMSUIJAOJ-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-tert-butylcyclohexene?
The IUPAC name of 1-bromo-4-tert-butylcyclohexene (CID 11469993) is 1-bromo-4-tert-butylcyclohexene.
What is the SMILES notation for 1-bromo-4-tert-butylcyclohexene?
The canonical SMILES for 1-bromo-4-tert-butylcyclohexene is CC(C)(C)C1CC=C(Br)CC1.
What is the InChIKey of 1-bromo-4-tert-butylcyclohexene?
The InChIKey is RKWFCRMSUIJAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Br/c1-10(2,3)8-4-6-9(11)7-5-8/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 1-bromo-4-tert-butylcyclohexene?
1-bromo-4-tert-butylcyclohexene has a molecular weight of 217.15 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-tert-butylcyclohexene is sourced from PubChem (CID 11469993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).