(6Z)-6-[(Z)-but-2-enylidene]-1,5,5-trimethylcyclohexene

C13H20 — CID 91753566

IUPAC(6Z)-6-[(Z)-but-2-enylidene]-1,5,5-trimethylcyclohexene
SMILESC/C=C\C=C1/C(C)=CCCC1(C)C
InChIInChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,8-9H,7,10H2,1-4H3/b6-5-,12-9+
InChIKeyBYDQKMZEOZVIJM-ZCRLHDOISA-N
MW176.30 g/mol
LogP4.26
Rot. Bonds1

About (6Z)-6-[(Z)-but-2-enylidene]-1,5,5-trimethylcyclohexene

(6Z)-6-[(Z)-but-2-enylidene]-1,5,5-trimethylcyclohexene (PubChem CID 91753566) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is (6Z)-6-[(Z)-but-2-enylidene]-1,5,5-trimethylcyclohexene.

Molecular Properties

Compound Name(6Z)-6-[(Z)-but-2-enylidene]-1,5,5-trimethylcyclohexene
PubChem CID91753566
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name(6Z)-6-[(Z)-but-2-enylidene]-1,5,5-trimethylcyclohexene
SMILESC/C=C\C=C1/C(C)=CCCC1(C)C
InChIInChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,8-9H,7,10H2,1-4H3/b6-5-,12-9+
InChIKeyBYDQKMZEOZVIJM-ZCRLHDOISA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[(Z)-but-2-enylidene]-1,5,5-trimethylcyclohexene?
The IUPAC name of (6Z)-6-[(Z)-but-2-enylidene]-1,5,5-trimethylcyclohexene (CID 91753566) is (6Z)-6-[(Z)-but-2-enylidene]-1,5,5-trimethylcyclohexene.
What is the SMILES notation for (6Z)-6-[(Z)-but-2-enylidene]-1,5,5-trimethylcyclohexene?
The canonical SMILES for (6Z)-6-[(Z)-but-2-enylidene]-1,5,5-trimethylcyclohexene is C/C=C\C=C1/C(C)=CCCC1(C)C.
What is the InChIKey of (6Z)-6-[(Z)-but-2-enylidene]-1,5,5-trimethylcyclohexene?
The InChIKey is BYDQKMZEOZVIJM-ZCRLHDOISA-N. The full InChI is InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,8-9H,7,10H2,1-4H3/b6-5-,12-9+.
What are the key properties of (6Z)-6-[(Z)-but-2-enylidene]-1,5,5-trimethylcyclohexene?
(6Z)-6-[(Z)-but-2-enylidene]-1,5,5-trimethylcyclohexene has a molecular weight of 176.30 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[(Z)-but-2-enylidene]-1,5,5-trimethylcyclohexene is sourced from PubChem (CID 91753566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).