cyclohexen-1-ylbenzene;cyclohex-2-en-1-ylbenzene;cyclohex-3-en-1-ylbenzene;ethane

C48H78 — CID 158943927

IUPACcyclohexen-1-ylbenzene;cyclohex-2-en-1-ylbenzene;cyclohex-3-en-1-ylbenzene;ethane
SMILESC1=C(c2ccccc2)CCCC1.C1=CC(c2ccccc2)CCC1.C1=CCC(c2ccccc2)CC1.CC.CC.CC.CC.CC.CC
InChIInChI=1S/3C12H14.6C2H6/c3*1-3-7-11(8-4-1)12-9-5-2-6-10-12;6*1-2/h1,3-4,7-9H,2,5-6,10H2;1,3-5,7-9,12H,2,6,10H2;1-5,7-8,12H,6,9-10H2;6*1-2H3
InChIKeyJKOZTPJHDUZNEO-UHFFFAOYSA-N
MW655.15 g/mol
LogP16.82
Rot. Bonds3

About cyclohexen-1-ylbenzene;cyclohex-2-en-1-ylbenzene;cyclohex-3-en-1-ylbenzene;ethane

cyclohexen-1-ylbenzene;cyclohex-2-en-1-ylbenzene;cyclohex-3-en-1-ylbenzene;ethane (PubChem CID 158943927) has the molecular formula C48H78 and a molecular weight of 655.15 g/mol. Its IUPAC name is cyclohexen-1-ylbenzene;cyclohex-2-en-1-ylbenzene;cyclohex-3-en-1-ylbenzene;ethane.

Molecular Properties

Compound Namecyclohexen-1-ylbenzene;cyclohex-2-en-1-ylbenzene;cyclohex-3-en-1-ylbenzene;ethane
PubChem CID158943927
Molecular FormulaC48H78
Molecular Weight655.15 g/mol
Exact Mass654.61
IUPAC Namecyclohexen-1-ylbenzene;cyclohex-2-en-1-ylbenzene;cyclohex-3-en-1-ylbenzene;ethane
SMILESC1=C(c2ccccc2)CCCC1.C1=CC(c2ccccc2)CCC1.C1=CCC(c2ccccc2)CC1.CC.CC.CC.CC.CC.CC
InChIInChI=1S/3C12H14.6C2H6/c3*1-3-7-11(8-4-1)12-9-5-2-6-10-12;6*1-2/h1,3-4,7-9H,2,5-6,10H2;1,3-5,7-9,12H,2,6,10H2;1-5,7-8,12H,6,9-10H2;6*1-2H3
InChIKeyJKOZTPJHDUZNEO-UHFFFAOYSA-N
XLogP16.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.15
LogP ≤ 516.82
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

carbonic acid;cyclohex-3-en-1-ylbenzene
CID 70561702
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CID 3026820
1-(2-phenylphenyl)cycloheptene
CID 71332036
1-[4-[3-(cyclohexen-1-yl)phenyl]piperidin-1-yl]ethanone
CID 141166525
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CID 12718499
4-cyclohex-2-en-1-ylphenol
CID 13414842
1-[(1R)-cyclohex-2-en-1-yl]-4-methoxybenzene
CID 11435403
1-cyclopent-2-en-1-ylcyclohexene
CID 14358731
N-(4-cyclohex-3-en-1-ylphenyl)-N-[4-(4-methylphenyl)phenyl]cyclohepta-1,6-dien-1-amine
CID 146536466
(1S,6S)-6-phenylcyclohept-2-en-1-ol
CID 101173341

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-ylbenzene;cyclohex-2-en-1-ylbenzene;cyclohex-3-en-1-ylbenzene;ethane?
The IUPAC name of cyclohexen-1-ylbenzene;cyclohex-2-en-1-ylbenzene;cyclohex-3-en-1-ylbenzene;ethane (CID 158943927) is cyclohexen-1-ylbenzene;cyclohex-2-en-1-ylbenzene;cyclohex-3-en-1-ylbenzene;ethane.
What is the SMILES notation for cyclohexen-1-ylbenzene;cyclohex-2-en-1-ylbenzene;cyclohex-3-en-1-ylbenzene;ethane?
The canonical SMILES for cyclohexen-1-ylbenzene;cyclohex-2-en-1-ylbenzene;cyclohex-3-en-1-ylbenzene;ethane is C1=C(c2ccccc2)CCCC1.C1=CC(c2ccccc2)CCC1.C1=CCC(c2ccccc2)CC1.CC.CC.CC.CC.CC.CC.
What is the InChIKey of cyclohexen-1-ylbenzene;cyclohex-2-en-1-ylbenzene;cyclohex-3-en-1-ylbenzene;ethane?
The InChIKey is JKOZTPJHDUZNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H14.6C2H6/c3*1-3-7-11(8-4-1)12-9-5-2-6-10-12;6*1-2/h1,3-4,7-9H,2,5-6,10H2;1,3-5,7-9,12H,2,6,10H2;1-5,7-8,12H,6,9-10H2;6*1-2H3.
What are the key properties of cyclohexen-1-ylbenzene;cyclohex-2-en-1-ylbenzene;cyclohex-3-en-1-ylbenzene;ethane?
cyclohexen-1-ylbenzene;cyclohex-2-en-1-ylbenzene;cyclohex-3-en-1-ylbenzene;ethane has a molecular weight of 655.15 g/mol, XLogP of 16.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-ylbenzene;cyclohex-2-en-1-ylbenzene;cyclohex-3-en-1-ylbenzene;ethane is sourced from PubChem (CID 158943927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).