ethane;ethene;1-ethyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene

C22H40 — CID 143264165

IUPACethane;ethene;1-ethyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene
SMILESC=C.CC.CCC1=CCCC(C(C)(C)C2CCC=C(C)C2)C1
InChIInChI=1S/C18H30.C2H6.C2H4/c1-5-15-9-7-11-17(13-15)18(3,4)16-10-6-8-14(2)12-16;2*1-2/h8-9,16-17H,5-7,10-13H2,1-4H3;1-2H3;1-2H2
InChIKeyQFBMWJSNCTZNTD-UHFFFAOYSA-N
MW304.56 g/mol
LogP7.72
Rot. Bonds3

About ethane;ethene;1-ethyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene

ethane;ethene;1-ethyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene (PubChem CID 143264165) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is ethane;ethene;1-ethyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene.

Molecular Properties

Compound Nameethane;ethene;1-ethyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene
PubChem CID143264165
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Nameethane;ethene;1-ethyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene
SMILESC=C.CC.CCC1=CCCC(C(C)(C)C2CCC=C(C)C2)C1
InChIInChI=1S/C18H30.C2H6.C2H4/c1-5-15-9-7-11-17(13-15)18(3,4)16-10-6-8-14(2)12-16;2*1-2/h8-9,16-17H,5-7,10-13H2,1-4H3;1-2H3;1-2H2
InChIKeyQFBMWJSNCTZNTD-UHFFFAOYSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;ethene;1-ethyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;1-ethyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene?
The IUPAC name of ethane;ethene;1-ethyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene (CID 143264165) is ethane;ethene;1-ethyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene.
What is the SMILES notation for ethane;ethene;1-ethyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene?
The canonical SMILES for ethane;ethene;1-ethyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene is C=C.CC.CCC1=CCCC(C(C)(C)C2CCC=C(C)C2)C1.
What is the InChIKey of ethane;ethene;1-ethyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene?
The InChIKey is QFBMWJSNCTZNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30.C2H6.C2H4/c1-5-15-9-7-11-17(13-15)18(3,4)16-10-6-8-14(2)12-16;2*1-2/h8-9,16-17H,5-7,10-13H2,1-4H3;1-2H3;1-2H2.
What are the key properties of ethane;ethene;1-ethyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene?
ethane;ethene;1-ethyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene has a molecular weight of 304.56 g/mol, XLogP of 7.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;1-ethyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene is sourced from PubChem (CID 143264165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).