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

C13H20 — CID 90475444

IUPAC(6E)-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-ZGCJARKRSA-N
MW176.30 g/mol
LogP4.26
Rot. Bonds1

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

(6E)-6-[(Z)-but-2-enylidene]-1,5,5-trimethylcyclohexene (PubChem CID 90475444) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is (6E)-6-[(Z)-but-2-enylidene]-1,5,5-trimethylcyclohexene.

Molecular Properties

Compound Name(6E)-6-[(Z)-but-2-enylidene]-1,5,5-trimethylcyclohexene
PubChem CID90475444
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name(6E)-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-ZGCJARKRSA-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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Related Compounds

Beta-Carotene
CID 5280489
Beta-Phellandrene
CID 11142
Elemene
CID 12309449
Torulene
CID 5281253
Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-
CID 89316
Axerophthene
CID 5287722
(-)-beta-Phellandrene
CID 443161
Isoterpinolene
CID 102443
delta-Selinene
CID 520383
gamma-Carotene
CID 5280791
9-Cis-Beta-Carotene
CID 9828626
(13Z)-beta-Carotene
CID 10256668

Frequently Asked Questions

What is the IUPAC name of (6E)-6-[(Z)-but-2-enylidene]-1,5,5-trimethylcyclohexene?
The IUPAC name of (6E)-6-[(Z)-but-2-enylidene]-1,5,5-trimethylcyclohexene (CID 90475444) is (6E)-6-[(Z)-but-2-enylidene]-1,5,5-trimethylcyclohexene.
What is the SMILES notation for (6E)-6-[(Z)-but-2-enylidene]-1,5,5-trimethylcyclohexene?
The canonical SMILES for (6E)-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 (6E)-6-[(Z)-but-2-enylidene]-1,5,5-trimethylcyclohexene?
The InChIKey is BYDQKMZEOZVIJM-ZGCJARKRSA-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 (6E)-6-[(Z)-but-2-enylidene]-1,5,5-trimethylcyclohexene?
(6E)-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 (6E)-6-[(Z)-but-2-enylidene]-1,5,5-trimethylcyclohexene is sourced from PubChem (CID 90475444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).