(1E)-1-cyclohexylcyclododecene

C18H32 — CID 139760943

IUPAC(1E)-1-cyclohexylcyclododecene
SMILESC1=C(/C2CCCCC2)CCCCCCCCCC/1
InChIInChI=1S/C18H32/c1-2-4-6-9-13-17(14-10-7-5-3-1)18-15-11-8-12-16-18/h13,18H,1-12,14-16H2/b17-13+
InChIKeyBGIRAUGAXLMNJP-GHRIWEEISA-N
MW248.45 g/mol
LogP6.41
Rot. Bonds1

About (1E)-1-cyclohexylcyclododecene

(1E)-1-cyclohexylcyclododecene (PubChem CID 139760943) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is (1E)-1-cyclohexylcyclododecene.

Molecular Properties

Compound Name(1E)-1-cyclohexylcyclododecene
PubChem CID139760943
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name(1E)-1-cyclohexylcyclododecene
SMILESC1=C(/C2CCCCC2)CCCCCCCCCC/1
InChIInChI=1S/C18H32/c1-2-4-6-9-13-17(14-10-7-5-3-1)18-15-11-8-12-16-18/h13,18H,1-12,14-16H2/b17-13+
InChIKeyBGIRAUGAXLMNJP-GHRIWEEISA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 56.41
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-cyclohexylcyclodecene
CID 139760930
(1Z)-bicyclo[6.1.0]non-1-ene
CID 5367451
4-(cyclohexen-1-yl)cyclohexan-1-amine
CID 146223069
1,2,3,3a,4,5-hexahydropentalene
CID 13058233
(1E)-1-[2-[(1E)-cyclododecen-1-yl]cyclopentyl]cyclododecene
CID 141390482
1-(3,4-dimethylcyclopentyl)cycloheptene
CID 153303899
1-cyclooctylcycloocta-1,3-diene
CID 154370011
1-cyclobutylcyclobutene
CID 556361
7-(cyclohexen-1-yl)bicyclo[4.2.0]oct-1-ene
CID 589378
tricyclo[17.3.1.09,11]tricosa-1(22),8,19(23),20-tetraen-23-ol
CID 123202129
cis-(1R,2R)-2-[5-[(3S)-3-(cyclohexen-1-yl)cyclohexyl]cyclohexen-1-yl]cyclohexan-1-ol
CID 166972270
1-cyclopenta-2,4-dien-1-ylcycloheptene
CID 163288981

Frequently Asked Questions

What is the IUPAC name of (1E)-1-cyclohexylcyclododecene?
The IUPAC name of (1E)-1-cyclohexylcyclododecene (CID 139760943) is (1E)-1-cyclohexylcyclododecene.
What is the SMILES notation for (1E)-1-cyclohexylcyclododecene?
The canonical SMILES for (1E)-1-cyclohexylcyclododecene is C1=C(/C2CCCCC2)CCCCCCCCCC/1.
What is the InChIKey of (1E)-1-cyclohexylcyclododecene?
The InChIKey is BGIRAUGAXLMNJP-GHRIWEEISA-N. The full InChI is InChI=1S/C18H32/c1-2-4-6-9-13-17(14-10-7-5-3-1)18-15-11-8-12-16-18/h13,18H,1-12,14-16H2/b17-13+.
What are the key properties of (1E)-1-cyclohexylcyclododecene?
(1E)-1-cyclohexylcyclododecene has a molecular weight of 248.45 g/mol, XLogP of 6.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-cyclohexylcyclododecene is sourced from PubChem (CID 139760943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).