(1E)-1-(3-methylbutylidene)-2-methylidenecyclohexane

C12H20 — CID 134843353

IUPAC(1E)-1-(3-methylbutylidene)-2-methylidenecyclohexane
SMILESC=C1CCCC/C1=C\CC(C)C
InChIInChI=1S/C12H20/c1-10(2)8-9-12-7-5-4-6-11(12)3/h9-10H,3-8H2,1-2H3/b12-9+
InChIKeyXQPYFBCACYSLIX-FMIVXFBMSA-N
MW164.29 g/mol
LogP4.09
Rot. Bonds2

About (1E)-1-(3-methylbutylidene)-2-methylidenecyclohexane

(1E)-1-(3-methylbutylidene)-2-methylidenecyclohexane (PubChem CID 134843353) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (1E)-1-(3-methylbutylidene)-2-methylidenecyclohexane.

Molecular Properties

Compound Name(1E)-1-(3-methylbutylidene)-2-methylidenecyclohexane
PubChem CID134843353
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(1E)-1-(3-methylbutylidene)-2-methylidenecyclohexane
SMILESC=C1CCCC/C1=C\CC(C)C
InChIInChI=1S/C12H20/c1-10(2)8-9-12-7-5-4-6-11(12)3/h9-10H,3-8H2,1-2H3/b12-9+
InChIKeyXQPYFBCACYSLIX-FMIVXFBMSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-methylbutylidenecyclobutane
CID 123644555
(1E)-1-ethylidene-2-methylidenecyclopentane
CID 142947641
(4E,7aR)-7a-methyl-1-[(E)-5-methylhex-2-enyl]-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 143647718
(4E)-7a-methyl-1-[(E)-5-methylhex-2-enyl]-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene;ethane
CID 142019823
(1R,3aS,4E,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 24779628
(7E)-3-(5-methylhexyl)-7-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-1,2,3,3a,4,5,6,7a-octahydroindene
CID 143286925
(4E,7aR)-7a-methyl-1-[(E)-6-methylhept-3-en-2-yl]-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene;ethane;methoxy thiohypoiodite
CID 143929073
(1R,4E,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene;molecular hydrogen
CID 153373254
(2E,5E)-3,5-bis[(Z)-(2-methylidenecyclohexylidene)methyl]hepta-2,5-dien-4-one
CID 144797728
(4E)-7a-methyl-1-(5-methylhexyl)-4-[(2Z)-2-(2-methylidenecycloheptylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 144680786
(1R,4E,7aR)-1-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-7a-methyl-4-[(2E)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 176858105
(6R)-6-[(4E,7aR)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]heptan-2-ol
CID 143290297

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(3-methylbutylidene)-2-methylidenecyclohexane?
The IUPAC name of (1E)-1-(3-methylbutylidene)-2-methylidenecyclohexane (CID 134843353) is (1E)-1-(3-methylbutylidene)-2-methylidenecyclohexane.
What is the SMILES notation for (1E)-1-(3-methylbutylidene)-2-methylidenecyclohexane?
The canonical SMILES for (1E)-1-(3-methylbutylidene)-2-methylidenecyclohexane is C=C1CCCC/C1=C\CC(C)C.
What is the InChIKey of (1E)-1-(3-methylbutylidene)-2-methylidenecyclohexane?
The InChIKey is XQPYFBCACYSLIX-FMIVXFBMSA-N. The full InChI is InChI=1S/C12H20/c1-10(2)8-9-12-7-5-4-6-11(12)3/h9-10H,3-8H2,1-2H3/b12-9+.
What are the key properties of (1E)-1-(3-methylbutylidene)-2-methylidenecyclohexane?
(1E)-1-(3-methylbutylidene)-2-methylidenecyclohexane has a molecular weight of 164.29 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(3-methylbutylidene)-2-methylidenecyclohexane is sourced from PubChem (CID 134843353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).