(1E)-1-[2-[(1E)-cyclododecen-1-yl]cyclopentyl]cyclododecene

C29H50 — CID 141390482

IUPAC(1E)-1-[2-[(1E)-cyclododecen-1-yl]cyclopentyl]cyclododecene
SMILESC1=C(/C2CCCC2/C2=C/CCCCCCCCCC2)CCCCCCCCCC/1
InChIInChI=1S/C29H50/c1-3-7-11-15-20-26(21-16-12-8-4-1)28-24-19-25-29(28)27-22-17-13-9-5-2-6-10-14-18-23-27/h20,22,28-29H,1-19,21,23-25H2/b26-20+,27-22+
InChIKeyJHUQPCIEZGLCJJ-XRVOMJKQSA-N
MW398.72 g/mol
LogP10.08
Rot. Bonds2

About (1E)-1-[2-[(1E)-cyclododecen-1-yl]cyclopentyl]cyclododecene

(1E)-1-[2-[(1E)-cyclododecen-1-yl]cyclopentyl]cyclododecene (PubChem CID 141390482) has the molecular formula C29H50 and a molecular weight of 398.72 g/mol. Its IUPAC name is (1E)-1-[2-[(1E)-cyclododecen-1-yl]cyclopentyl]cyclododecene.

Molecular Properties

Compound Name(1E)-1-[2-[(1E)-cyclododecen-1-yl]cyclopentyl]cyclododecene
PubChem CID141390482
Molecular FormulaC29H50
Molecular Weight398.72 g/mol
Exact Mass398.39
IUPAC Name(1E)-1-[2-[(1E)-cyclododecen-1-yl]cyclopentyl]cyclododecene
SMILESC1=C(/C2CCCC2/C2=C/CCCCCCCCCC2)CCCCCCCCCC/1
InChIInChI=1S/C29H50/c1-3-7-11-15-20-26(21-16-12-8-4-1)28-24-19-25-29(28)27-22-17-13-9-5-2-6-10-14-18-23-27/h20,22,28-29H,1-19,21,23-25H2/b26-20+,27-22+
InChIKeyJHUQPCIEZGLCJJ-XRVOMJKQSA-N
XLogP10.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.72
LogP ≤ 510.08
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

7-(cyclohexen-1-yl)bicyclo[4.2.0]oct-1-ene
CID 589378
trans-(1S,2R)-2-(cyclohexen-1-yl)cyclobutan-1-ol
CID 12692992
(1E)-1-cyclohexylcyclododecene
CID 139760943
(1E)-1-cyclohexylcyclodecene
CID 139760930
1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol
CID 78062967
(1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol
CID 101144558
1-(2-methoxycyclopentyl)cyclopentene
CID 166921968
1-[(1R,2R)-2-(cyclohexen-1-yl)cyclohexyl]ethanone
CID 71527330
2-(cyclohexen-1-yl)bicyclo[2.2.1]heptane
CID 154721857
1-cyclopenta-2,4-dien-1-ylcycloheptene
CID 163288981
(4aS,4bR)-1,2,3,4,4a,4b,5,6,7,8-decahydrophenanthrene
CID 12714337
5-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene
CID 22020032

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[2-[(1E)-cyclododecen-1-yl]cyclopentyl]cyclododecene?
The IUPAC name of (1E)-1-[2-[(1E)-cyclododecen-1-yl]cyclopentyl]cyclododecene (CID 141390482) is (1E)-1-[2-[(1E)-cyclododecen-1-yl]cyclopentyl]cyclododecene.
What is the SMILES notation for (1E)-1-[2-[(1E)-cyclododecen-1-yl]cyclopentyl]cyclododecene?
The canonical SMILES for (1E)-1-[2-[(1E)-cyclododecen-1-yl]cyclopentyl]cyclododecene is C1=C(/C2CCCC2/C2=C/CCCCCCCCCC2)CCCCCCCCCC/1.
What is the InChIKey of (1E)-1-[2-[(1E)-cyclododecen-1-yl]cyclopentyl]cyclododecene?
The InChIKey is JHUQPCIEZGLCJJ-XRVOMJKQSA-N. The full InChI is InChI=1S/C29H50/c1-3-7-11-15-20-26(21-16-12-8-4-1)28-24-19-25-29(28)27-22-17-13-9-5-2-6-10-14-18-23-27/h20,22,28-29H,1-19,21,23-25H2/b26-20+,27-22+.
What are the key properties of (1E)-1-[2-[(1E)-cyclododecen-1-yl]cyclopentyl]cyclododecene?
(1E)-1-[2-[(1E)-cyclododecen-1-yl]cyclopentyl]cyclododecene has a molecular weight of 398.72 g/mol, XLogP of 10.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[2-[(1E)-cyclododecen-1-yl]cyclopentyl]cyclododecene is sourced from PubChem (CID 141390482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).