butylcyclohexane;ethene;prop-2-enylbenzene

C21H34 — CID 174813579

IUPACbutylcyclohexane;ethene;prop-2-enylbenzene
SMILESC=C.C=CCc1ccccc1.CCCCC1CCCCC1
InChIInChI=1S/C10H20.C9H10.C2H4/c1-2-3-7-10-8-5-4-6-9-10;1-2-6-9-7-4-3-5-8-9;1-2/h10H,2-9H2,1H3;2-5,7-8H,1,6H2;1-2H2
InChIKeyVICNEUOXTSYDIX-UHFFFAOYSA-N
MW286.50 g/mol
LogP6.97
Rot. Bonds5

About butylcyclohexane;ethene;prop-2-enylbenzene

butylcyclohexane;ethene;prop-2-enylbenzene (PubChem CID 174813579) has the molecular formula C21H34 and a molecular weight of 286.50 g/mol. Its IUPAC name is butylcyclohexane;ethene;prop-2-enylbenzene.

Molecular Properties

Compound Namebutylcyclohexane;ethene;prop-2-enylbenzene
PubChem CID174813579
Molecular FormulaC21H34
Molecular Weight286.50 g/mol
Exact Mass286.27
IUPAC Namebutylcyclohexane;ethene;prop-2-enylbenzene
SMILESC=C.C=CCc1ccccc1.CCCCC1CCCCC1
InChIInChI=1S/C10H20.C9H10.C2H4/c1-2-3-7-10-8-5-4-6-9-10;1-2-6-9-7-4-3-5-8-9;1-2/h10H,2-9H2,1H3;2-5,7-8H,1,6H2;1-2H2
InChIKeyVICNEUOXTSYDIX-UHFFFAOYSA-N
XLogP6.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 56.97
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

pentane;prop-2-enylbenzene
CID 90884247
ethane;ethenylcyclohexane;prop-2-enylbenzene;styrene
CID 164544485
2-(4-butylcyclohexyl)ethylbenzene
CID 19899703
dicyclohexylmethanol;prop-2-enylbenzene
CID 174723759
prop-2-enylbenzene
CID 159998516
ethene;pentylcyclopentane
CID 145442606
CID 173215164
CID 173215164
2-phenylethylcyclooctane
CID 54073487
1-[2-(4-decylcyclohexyl)ethyl]-4-[2-(4-prop-2-enylphenyl)ethynyl]benzene
CID 139787890
butylcyclohexane;N-methylmethanamine
CID 174941558
1-butyl-4-propylcyclononane
CID 123467552
CID 171376493
CID 171376493

Frequently Asked Questions

What is the IUPAC name of butylcyclohexane;ethene;prop-2-enylbenzene?
The IUPAC name of butylcyclohexane;ethene;prop-2-enylbenzene (CID 174813579) is butylcyclohexane;ethene;prop-2-enylbenzene.
What is the SMILES notation for butylcyclohexane;ethene;prop-2-enylbenzene?
The canonical SMILES for butylcyclohexane;ethene;prop-2-enylbenzene is C=C.C=CCc1ccccc1.CCCCC1CCCCC1.
What is the InChIKey of butylcyclohexane;ethene;prop-2-enylbenzene?
The InChIKey is VICNEUOXTSYDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C9H10.C2H4/c1-2-3-7-10-8-5-4-6-9-10;1-2-6-9-7-4-3-5-8-9;1-2/h10H,2-9H2,1H3;2-5,7-8H,1,6H2;1-2H2.
What are the key properties of butylcyclohexane;ethene;prop-2-enylbenzene?
butylcyclohexane;ethene;prop-2-enylbenzene has a molecular weight of 286.50 g/mol, XLogP of 6.97, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butylcyclohexane;ethene;prop-2-enylbenzene is sourced from PubChem (CID 174813579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).