3-[3,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]thiophen-2-yl]-2-ethenylcyclohex-2-en-1-one;ethane

C23H32OS — CID 144723726

IUPAC3-[3,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]thiophen-2-yl]-2-ethenylcyclohex-2-en-1-one;ethane
SMILESC=CC1=C(c2sc(C=C)c(/C=C\C)c2C=C)CCCC1=O.CC.CC
InChIInChI=1S/C19H20OS.2C2H6/c1-5-10-15-14(7-3)19(21-18(15)8-4)16-11-9-12-17(20)13(16)6-2;2*1-2/h5-8,10H,2-4,9,11-12H2,1H3;2*1-2H3/b10-5-;;
InChIKeySQSOPGNNHBRYSC-KGEBAWAISA-N
MW356.58 g/mol
LogP7.81
Rot. Bonds5

About 3-[3,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]thiophen-2-yl]-2-ethenylcyclohex-2-en-1-one;ethane

3-[3,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]thiophen-2-yl]-2-ethenylcyclohex-2-en-1-one;ethane (PubChem CID 144723726) has the molecular formula C23H32OS and a molecular weight of 356.58 g/mol. Its IUPAC name is 3-[3,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]thiophen-2-yl]-2-ethenylcyclohex-2-en-1-one;ethane.

Molecular Properties

Compound Name3-[3,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]thiophen-2-yl]-2-ethenylcyclohex-2-en-1-one;ethane
PubChem CID144723726
Molecular FormulaC23H32OS
Molecular Weight356.58 g/mol
Exact Mass356.22
IUPAC Name3-[3,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]thiophen-2-yl]-2-ethenylcyclohex-2-en-1-one;ethane
SMILESC=CC1=C(c2sc(C=C)c(/C=C\C)c2C=C)CCCC1=O.CC.CC
InChIInChI=1S/C19H20OS.2C2H6/c1-5-10-15-14(7-3)19(21-18(15)8-4)16-11-9-12-17(20)13(16)6-2;2*1-2/h5-8,10H,2-4,9,11-12H2,1H3;2*1-2H3/b10-5-;;
InChIKeySQSOPGNNHBRYSC-KGEBAWAISA-N
XLogP7.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.58
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[3,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]thiophen-2-yl]-2-ethenylcyclohex-2-en-1-one;ethane with MolForge

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

Launch Full Analysis

Related Compounds

3-methyl-2-prop-1-enylcyclohex-2-en-1-one
CID 123373208
2-ethenyl-3-(methylideneamino)cyclohex-2-en-1-one
CID 144648325
2-ethenyl-3-methoxycyclohex-2-en-1-one
CID 45116896
2-amino-5-ethenyl-4-[(Z)-prop-1-enyl]thiophene-3-carboxylic acid;ethane
CID 145486900
ethane;5-ethenyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrimidin-4-one
CID 143089748
3-ethenyl-5-methyl-2,6-bis[(Z)-prop-1-enyl]thiopyran-4-one
CID 134285804
2,3,4,5-tetrakis[(Z)-prop-1-enyl]thiophene
CID 138605345
3-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]thiophene
CID 135215565
4-ethenyl-5-[(Z)-prop-1-enyl]thiophene-3-carbaldehyde
CID 138612930
ethane;1,2,4-tris(ethenyl)-3-[(Z)-prop-1-enyl]cyclopenta-1,3-diene
CID 142480313
3-ethenyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-1H-indole
CID 138463811
6-[2-[(Z)-prop-1-enyl]cyclohexen-1-yl]-4,5-dihydro-3H-pyridin-2-one
CID 143658750

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]thiophen-2-yl]-2-ethenylcyclohex-2-en-1-one;ethane?
The IUPAC name of 3-[3,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]thiophen-2-yl]-2-ethenylcyclohex-2-en-1-one;ethane (CID 144723726) is 3-[3,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]thiophen-2-yl]-2-ethenylcyclohex-2-en-1-one;ethane.
What is the SMILES notation for 3-[3,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]thiophen-2-yl]-2-ethenylcyclohex-2-en-1-one;ethane?
The canonical SMILES for 3-[3,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]thiophen-2-yl]-2-ethenylcyclohex-2-en-1-one;ethane is C=CC1=C(c2sc(C=C)c(/C=C\C)c2C=C)CCCC1=O.CC.CC.
What is the InChIKey of 3-[3,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]thiophen-2-yl]-2-ethenylcyclohex-2-en-1-one;ethane?
The InChIKey is SQSOPGNNHBRYSC-KGEBAWAISA-N. The full InChI is InChI=1S/C19H20OS.2C2H6/c1-5-10-15-14(7-3)19(21-18(15)8-4)16-11-9-12-17(20)13(16)6-2;2*1-2/h5-8,10H,2-4,9,11-12H2,1H3;2*1-2H3/b10-5-;;.
What are the key properties of 3-[3,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]thiophen-2-yl]-2-ethenylcyclohex-2-en-1-one;ethane?
3-[3,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]thiophen-2-yl]-2-ethenylcyclohex-2-en-1-one;ethane has a molecular weight of 356.58 g/mol, XLogP of 7.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]thiophen-2-yl]-2-ethenylcyclohex-2-en-1-one;ethane is sourced from PubChem (CID 144723726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).