7-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-1,10-dimethyl-2,3,4,4a,7,8,9,10b-octahydro-1,10-phenanthroline

C26H38N2 — CID 90160738

IUPAC7-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-1,10-dimethyl-2,3,4,4a,7,8,9,10b-octahydro-1,10-phenanthroline
SMILESCN1CCC(C2=CCCCC2)C2=C1C1C(C=C2)C(C2CC=CCC2)CCN1C
InChIInChI=1S/C26H38N2/c1-27-17-15-21(19-9-5-3-6-10-19)23-13-14-24-22(20-11-7-4-8-12-20)16-18-28(2)26(24)25(23)27/h3,5,11,13-14,19,21-23,25H,4,6-10,12,15-18H2,1-2H3
InChIKeyUHCSMLYNFCRWNZ-UHFFFAOYSA-N
MW378.60 g/mol
LogP5.56
Rot. Bonds2

About 7-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-1,10-dimethyl-2,3,4,4a,7,8,9,10b-octahydro-1,10-phenanthroline

7-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-1,10-dimethyl-2,3,4,4a,7,8,9,10b-octahydro-1,10-phenanthroline (PubChem CID 90160738) has the molecular formula C26H38N2 and a molecular weight of 378.60 g/mol. Its IUPAC name is 7-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-1,10-dimethyl-2,3,4,4a,7,8,9,10b-octahydro-1,10-phenanthroline.

Molecular Properties

Compound Name7-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-1,10-dimethyl-2,3,4,4a,7,8,9,10b-octahydro-1,10-phenanthroline
PubChem CID90160738
Molecular FormulaC26H38N2
Molecular Weight378.60 g/mol
Exact Mass378.30
IUPAC Name7-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-1,10-dimethyl-2,3,4,4a,7,8,9,10b-octahydro-1,10-phenanthroline
SMILESCN1CCC(C2=CCCCC2)C2=C1C1C(C=C2)C(C2CC=CCC2)CCN1C
InChIInChI=1S/C26H38N2/c1-27-17-15-21(19-9-5-3-6-10-19)23-13-14-24-22(20-11-7-4-8-12-20)16-18-28(2)26(24)25(23)27/h3,5,11,13-14,19,21-23,25H,4,6-10,12,15-18H2,1-2H3
InChIKeyUHCSMLYNFCRWNZ-UHFFFAOYSA-N
XLogP5.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-1,10-dimethyl-2,3,4,4a,7,8,9,10b-octahydro-1,10-phenanthroline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-1,10-dimethyl-2,3,4,4a,7,8,9,10b-octahydro-1,10-phenanthroline?
The IUPAC name of 7-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-1,10-dimethyl-2,3,4,4a,7,8,9,10b-octahydro-1,10-phenanthroline (CID 90160738) is 7-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-1,10-dimethyl-2,3,4,4a,7,8,9,10b-octahydro-1,10-phenanthroline.
What is the SMILES notation for 7-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-1,10-dimethyl-2,3,4,4a,7,8,9,10b-octahydro-1,10-phenanthroline?
The canonical SMILES for 7-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-1,10-dimethyl-2,3,4,4a,7,8,9,10b-octahydro-1,10-phenanthroline is CN1CCC(C2=CCCCC2)C2=C1C1C(C=C2)C(C2CC=CCC2)CCN1C.
What is the InChIKey of 7-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-1,10-dimethyl-2,3,4,4a,7,8,9,10b-octahydro-1,10-phenanthroline?
The InChIKey is UHCSMLYNFCRWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2/c1-27-17-15-21(19-9-5-3-6-10-19)23-13-14-24-22(20-11-7-4-8-12-20)16-18-28(2)26(24)25(23)27/h3,5,11,13-14,19,21-23,25H,4,6-10,12,15-18H2,1-2H3.
What are the key properties of 7-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-1,10-dimethyl-2,3,4,4a,7,8,9,10b-octahydro-1,10-phenanthroline?
7-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-1,10-dimethyl-2,3,4,4a,7,8,9,10b-octahydro-1,10-phenanthroline has a molecular weight of 378.60 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexen-1-yl)-4-cyclohex-3-en-1-yl-1,10-dimethyl-2,3,4,4a,7,8,9,10b-octahydro-1,10-phenanthroline is sourced from PubChem (CID 90160738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).