4-tert-butyl-1-chlorocyclohexene

C10H17Cl — CID 11355769

IUPAC4-tert-butyl-1-chlorocyclohexene
SMILESCC(C)(C)C1CC=C(Cl)CC1
InChIInChI=1S/C10H17Cl/c1-10(2,3)8-4-6-9(11)7-5-8/h6,8H,4-5,7H2,1-3H3
InChIKeyMSUZQKVLWOSSRL-UHFFFAOYSA-N
MW172.70 g/mol
LogP3.96
Rot. Bonds

About 4-tert-butyl-1-chlorocyclohexene

4-tert-butyl-1-chlorocyclohexene (PubChem CID 11355769) has the molecular formula C10H17Cl and a molecular weight of 172.70 g/mol. Its IUPAC name is 4-tert-butyl-1-chlorocyclohexene.

Molecular Properties

Compound Name4-tert-butyl-1-chlorocyclohexene
PubChem CID11355769
Molecular FormulaC10H17Cl
Molecular Weight172.70 g/mol
Exact Mass172.10
IUPAC Name4-tert-butyl-1-chlorocyclohexene
SMILESCC(C)(C)C1CC=C(Cl)CC1
InChIInChI=1S/C10H17Cl/c1-10(2,3)8-4-6-9(11)7-5-8/h6,8H,4-5,7H2,1-3H3
InChIKeyMSUZQKVLWOSSRL-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.70
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-chlorocyclohexene?
The IUPAC name of 4-tert-butyl-1-chlorocyclohexene (CID 11355769) is 4-tert-butyl-1-chlorocyclohexene.
What is the SMILES notation for 4-tert-butyl-1-chlorocyclohexene?
The canonical SMILES for 4-tert-butyl-1-chlorocyclohexene is CC(C)(C)C1CC=C(Cl)CC1.
What is the InChIKey of 4-tert-butyl-1-chlorocyclohexene?
The InChIKey is MSUZQKVLWOSSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl/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 4-tert-butyl-1-chlorocyclohexene?
4-tert-butyl-1-chlorocyclohexene has a molecular weight of 172.70 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-chlorocyclohexene is sourced from PubChem (CID 11355769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).