acetylene;1,4-dimethylcyclohexane;1,3-dimethylcyclopentane;ethene

C19H36 — CID 157204213

IUPACacetylene;1,4-dimethylcyclohexane;1,3-dimethylcyclopentane;ethene
SMILESC#C.C=C.CC1CCC(C)C1.CC1CCC(C)CC1
InChIInChI=1S/C8H16.C7H14.C2H4.C2H2/c1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;2*1-2/h7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;1-2H2;1-2H
InChIKeyARDQECMALCHEER-UHFFFAOYSA-N
MW264.50 g/mol
LogP6.33
Rot. Bonds

About acetylene;1,4-dimethylcyclohexane;1,3-dimethylcyclopentane;ethene

acetylene;1,4-dimethylcyclohexane;1,3-dimethylcyclopentane;ethene (PubChem CID 157204213) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is acetylene;1,4-dimethylcyclohexane;1,3-dimethylcyclopentane;ethene.

Molecular Properties

Compound Nameacetylene;1,4-dimethylcyclohexane;1,3-dimethylcyclopentane;ethene
PubChem CID157204213
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Nameacetylene;1,4-dimethylcyclohexane;1,3-dimethylcyclopentane;ethene
SMILESC#C.C=C.CC1CCC(C)C1.CC1CCC(C)CC1
InChIInChI=1S/C8H16.C7H14.C2H4.C2H2/c1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;2*1-2/h7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;1-2H2;1-2H
InChIKeyARDQECMALCHEER-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1,3-dimethylcyclopentane
CID 13119651
1,3,6,8-tetramethylcyclodecane
CID 162455053
1,3-dimethylcyclopentane;ethene;prop-1-ene
CID 143207581
1,2,4,7-tetramethylcyclononane
CID 123661715
bis(1,4-dimethylcyclohexane);methane
CID 161326462
(1R)-1,3-dimethylcyclohexane
CID 12594306
1,4-dimethylcyclohexane;methanol
CID 70358527
1,4-dimethylcyclohexane;ethane;sulfane
CID 142040311
tris(1,4-dimethylcyclohexane);methane;yttrium
CID 165073168
1,3,6-trimethyl-9-propylcycloundecane
CID 123524783
CID 175388606
CID 175388606
trans-(1S,3S)-1,3-dimethylcyclooctane
CID 6427537

Frequently Asked Questions

What is the IUPAC name of acetylene;1,4-dimethylcyclohexane;1,3-dimethylcyclopentane;ethene?
The IUPAC name of acetylene;1,4-dimethylcyclohexane;1,3-dimethylcyclopentane;ethene (CID 157204213) is acetylene;1,4-dimethylcyclohexane;1,3-dimethylcyclopentane;ethene.
What is the SMILES notation for acetylene;1,4-dimethylcyclohexane;1,3-dimethylcyclopentane;ethene?
The canonical SMILES for acetylene;1,4-dimethylcyclohexane;1,3-dimethylcyclopentane;ethene is C#C.C=C.CC1CCC(C)C1.CC1CCC(C)CC1.
What is the InChIKey of acetylene;1,4-dimethylcyclohexane;1,3-dimethylcyclopentane;ethene?
The InChIKey is ARDQECMALCHEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C7H14.C2H4.C2H2/c1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;2*1-2/h7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;1-2H2;1-2H.
What are the key properties of acetylene;1,4-dimethylcyclohexane;1,3-dimethylcyclopentane;ethene?
acetylene;1,4-dimethylcyclohexane;1,3-dimethylcyclopentane;ethene has a molecular weight of 264.50 g/mol, XLogP of 6.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1,4-dimethylcyclohexane;1,3-dimethylcyclopentane;ethene is sourced from PubChem (CID 157204213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).