(1E)-1-[(E)-but-2-enylidene]-2-(2-methylprop-1-enyl)cyclohexane

C14H22 — CID 102151765

IUPAC(1E)-1-[(E)-but-2-enylidene]-2-(2-methylprop-1-enyl)cyclohexane
SMILESC/C=C/C=C1\CCCCC1C=C(C)C
InChIInChI=1S/C14H22/c1-4-5-8-13-9-6-7-10-14(13)11-12(2)3/h4-5,8,11,14H,6-7,9-10H2,1-3H3/b5-4+,13-8+
InChIKeyWLQGKCHQSYZLGG-VDXACTLNSA-N
MW190.33 g/mol
LogP4.65
Rot. Bonds2

About (1E)-1-[(E)-but-2-enylidene]-2-(2-methylprop-1-enyl)cyclohexane

(1E)-1-[(E)-but-2-enylidene]-2-(2-methylprop-1-enyl)cyclohexane (PubChem CID 102151765) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is (1E)-1-[(E)-but-2-enylidene]-2-(2-methylprop-1-enyl)cyclohexane.

Molecular Properties

Compound Name(1E)-1-[(E)-but-2-enylidene]-2-(2-methylprop-1-enyl)cyclohexane
PubChem CID102151765
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name(1E)-1-[(E)-but-2-enylidene]-2-(2-methylprop-1-enyl)cyclohexane
SMILESC/C=C/C=C1\CCCCC1C=C(C)C
InChIInChI=1S/C14H22/c1-4-5-8-13-9-6-7-10-14(13)11-12(2)3/h4-5,8,11,14H,6-7,9-10H2,1-3H3/b5-4+,13-8+
InChIKeyWLQGKCHQSYZLGG-VDXACTLNSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1E)-1-(3-methylbut-2-enylidene)-2-(2-methylprop-1-enyl)cyclohexane
CID 10242027
1-but-2-enylidene-2-prop-1-enylcyclopentane
CID 131859563
(2E)-2-[(Z)-but-2-enylidene]-N-methylcyclohexan-1-amine
CID 142040872
(1E,2S)-1-ethylidene-2-methylcyclohexane
CID 148695286
(1Z,2Z)-1-[(Z)-but-2-enylidene]-2-ethylidenecyclohexane;ethane
CID 142131776
(1Z,2Z)-1-[(Z)-but-2-enylidene]-2-ethylidenecycloheptane;ethane
CID 143536598
(2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]azepane
CID 142245183
2-but-2-enylidenecyclododecan-1-one
CID 72612267
2-ethylidenecyclopentan-1-ol
CID 72740887
1-[(2E)-2-ethylidenecyclohexyl]propan-2-one
CID 15472619
2-ethylidenecyclohexane-1-carboxylic acid
CID 57189544
2-methylbut-2-ene;tricyclohexylphosphane
CID 174792774

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(E)-but-2-enylidene]-2-(2-methylprop-1-enyl)cyclohexane?
The IUPAC name of (1E)-1-[(E)-but-2-enylidene]-2-(2-methylprop-1-enyl)cyclohexane (CID 102151765) is (1E)-1-[(E)-but-2-enylidene]-2-(2-methylprop-1-enyl)cyclohexane.
What is the SMILES notation for (1E)-1-[(E)-but-2-enylidene]-2-(2-methylprop-1-enyl)cyclohexane?
The canonical SMILES for (1E)-1-[(E)-but-2-enylidene]-2-(2-methylprop-1-enyl)cyclohexane is C/C=C/C=C1\CCCCC1C=C(C)C.
What is the InChIKey of (1E)-1-[(E)-but-2-enylidene]-2-(2-methylprop-1-enyl)cyclohexane?
The InChIKey is WLQGKCHQSYZLGG-VDXACTLNSA-N. The full InChI is InChI=1S/C14H22/c1-4-5-8-13-9-6-7-10-14(13)11-12(2)3/h4-5,8,11,14H,6-7,9-10H2,1-3H3/b5-4+,13-8+.
What are the key properties of (1E)-1-[(E)-but-2-enylidene]-2-(2-methylprop-1-enyl)cyclohexane?
(1E)-1-[(E)-but-2-enylidene]-2-(2-methylprop-1-enyl)cyclohexane has a molecular weight of 190.33 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(E)-but-2-enylidene]-2-(2-methylprop-1-enyl)cyclohexane is sourced from PubChem (CID 102151765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).