6-(cyclohexen-1-yl)-1,6-di(cyclopenten-1-yl)cyclohexene

C22H30 — CID 141056447

IUPAC6-(cyclohexen-1-yl)-1,6-di(cyclopenten-1-yl)cyclohexene
SMILESC1=C(C2=CCCCC2(C2=CCCC2)C2=CCCCC2)CCC1
InChIInChI=1S/C22H30/c1-2-12-19(13-3-1)22(20-14-6-7-15-20)17-9-8-16-21(22)18-10-4-5-11-18/h10,12,14,16H,1-9,11,13,15,17H2
InChIKeyPQQPRTGGEGYECW-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.80
Rot. Bonds3

About 6-(cyclohexen-1-yl)-1,6-di(cyclopenten-1-yl)cyclohexene

6-(cyclohexen-1-yl)-1,6-di(cyclopenten-1-yl)cyclohexene (PubChem CID 141056447) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is 6-(cyclohexen-1-yl)-1,6-di(cyclopenten-1-yl)cyclohexene.

Molecular Properties

Compound Name6-(cyclohexen-1-yl)-1,6-di(cyclopenten-1-yl)cyclohexene
PubChem CID141056447
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name6-(cyclohexen-1-yl)-1,6-di(cyclopenten-1-yl)cyclohexene
SMILESC1=C(C2=CCCCC2(C2=CCCC2)C2=CCCCC2)CCC1
InChIInChI=1S/C22H30/c1-2-12-19(13-3-1)22(20-14-6-7-15-20)17-9-8-16-21(22)18-10-4-5-11-18/h10,12,14,16H,1-9,11,13,15,17H2
InChIKeyPQQPRTGGEGYECW-UHFFFAOYSA-N
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.80
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

1-(cyclopenten-1-yl)cyclooctene
CID 91463872
(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene
CID 139760940
1-(cyclodecen-1-yl)cyclodecene
CID 54296371
1-(cyclohexen-1-yl)cyclohexan-1-amine
CID 56996461
1-(cyclohepten-1-yl)cyclohex-2-en-1-ol
CID 106651589
2-(cyclohexen-1-yl)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
CID 156785118
3-(cycloocten-1-yl)-3-fluoropyrrolidine
CID 106655028
[1-(cyclohexen-1-yl)cyclohexyl]methanamine
CID 116659372
4-(cycloocten-1-yl)-4-hydroxycyclohexan-1-one
CID 106651235
1-(cyclohexen-1-yl)-4,4-dimethylcyclohexan-1-ol
CID 106651138
2-(cyclohexen-1-yl)-2-ethylpyrrolidine
CID 106653516
3-(cycloocten-1-yl)piperidin-3-ol
CID 106650906

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexen-1-yl)-1,6-di(cyclopenten-1-yl)cyclohexene?
The IUPAC name of 6-(cyclohexen-1-yl)-1,6-di(cyclopenten-1-yl)cyclohexene (CID 141056447) is 6-(cyclohexen-1-yl)-1,6-di(cyclopenten-1-yl)cyclohexene.
What is the SMILES notation for 6-(cyclohexen-1-yl)-1,6-di(cyclopenten-1-yl)cyclohexene?
The canonical SMILES for 6-(cyclohexen-1-yl)-1,6-di(cyclopenten-1-yl)cyclohexene is C1=C(C2=CCCCC2(C2=CCCC2)C2=CCCCC2)CCC1.
What is the InChIKey of 6-(cyclohexen-1-yl)-1,6-di(cyclopenten-1-yl)cyclohexene?
The InChIKey is PQQPRTGGEGYECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30/c1-2-12-19(13-3-1)22(20-14-6-7-15-20)17-9-8-16-21(22)18-10-4-5-11-18/h10,12,14,16H,1-9,11,13,15,17H2.
What are the key properties of 6-(cyclohexen-1-yl)-1,6-di(cyclopenten-1-yl)cyclohexene?
6-(cyclohexen-1-yl)-1,6-di(cyclopenten-1-yl)cyclohexene has a molecular weight of 294.48 g/mol, XLogP of 6.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexen-1-yl)-1,6-di(cyclopenten-1-yl)cyclohexene is sourced from PubChem (CID 141056447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).