6-[(E)-but-1-enyl]-1,4,5,5-tetramethylcyclohexene

C14H24 — CID 170315816

IUPAC6-[(E)-but-1-enyl]-1,4,5,5-tetramethylcyclohexene
SMILESCC/C=C/C1C(C)=CCC(C)C1(C)C
InChIInChI=1S/C14H24/c1-6-7-8-13-11(2)9-10-12(3)14(13,4)5/h7-9,12-13H,6,10H2,1-5H3/b8-7+
InChIKeyZWZRFRZANYWYOG-BQYQJAHWSA-N
MW192.35 g/mol
LogP4.58
Rot. Bonds2

About 6-[(E)-but-1-enyl]-1,4,5,5-tetramethylcyclohexene

6-[(E)-but-1-enyl]-1,4,5,5-tetramethylcyclohexene (PubChem CID 170315816) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 6-[(E)-but-1-enyl]-1,4,5,5-tetramethylcyclohexene.

Molecular Properties

Compound Name6-[(E)-but-1-enyl]-1,4,5,5-tetramethylcyclohexene
PubChem CID170315816
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name6-[(E)-but-1-enyl]-1,4,5,5-tetramethylcyclohexene
SMILESCC/C=C/C1C(C)=CCC(C)C1(C)C
InChIInChI=1S/C14H24/c1-6-7-8-13-11(2)9-10-12(3)14(13,4)5/h7-9,12-13H,6,10H2,1-5H3/b8-7+
InChIKeyZWZRFRZANYWYOG-BQYQJAHWSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-but-1-enyl]-1,4,5,5-tetramethylcyclohexene?
The IUPAC name of 6-[(E)-but-1-enyl]-1,4,5,5-tetramethylcyclohexene (CID 170315816) is 6-[(E)-but-1-enyl]-1,4,5,5-tetramethylcyclohexene.
What is the SMILES notation for 6-[(E)-but-1-enyl]-1,4,5,5-tetramethylcyclohexene?
The canonical SMILES for 6-[(E)-but-1-enyl]-1,4,5,5-tetramethylcyclohexene is CC/C=C/C1C(C)=CCC(C)C1(C)C.
What is the InChIKey of 6-[(E)-but-1-enyl]-1,4,5,5-tetramethylcyclohexene?
The InChIKey is ZWZRFRZANYWYOG-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H24/c1-6-7-8-13-11(2)9-10-12(3)14(13,4)5/h7-9,12-13H,6,10H2,1-5H3/b8-7+.
What are the key properties of 6-[(E)-but-1-enyl]-1,4,5,5-tetramethylcyclohexene?
6-[(E)-but-1-enyl]-1,4,5,5-tetramethylcyclohexene has a molecular weight of 192.35 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-but-1-enyl]-1,4,5,5-tetramethylcyclohexene is sourced from PubChem (CID 170315816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).