ethane;2-[(Z)-5-ethyl-8-methyl-2-methylidene-4-[(Z)-prop-1-enyl]dec-3-enyl]-4,5-dihydroisoindole-1,3-dione

C27H41NO2 — CID 156819263

IUPACethane;2-[(Z)-5-ethyl-8-methyl-2-methylidene-4-[(Z)-prop-1-enyl]dec-3-enyl]-4,5-dihydroisoindole-1,3-dione
SMILESC=C(/C=C(\C=C/C)C(CC)CCC(C)CC)CN1C(=O)C2=C(CCC=C2)C1=O.CC
InChIInChI=1S/C25H35NO2.C2H6/c1-6-11-21(20(8-3)15-14-18(4)7-2)16-19(5)17-26-24(27)22-12-9-10-13-23(22)25(26)28;1-2/h6,9,11-12,16,18,20H,5,7-8,10,13-15,17H2,1-4H3;1-2H3/b11-6-,21-16+;
InChIKeyXYDZKQRKJAVBIV-MEUVKNRTSA-N
MW411.63 g/mol
LogP6.94
Rot. Bonds10

About ethane;2-[(Z)-5-ethyl-8-methyl-2-methylidene-4-[(Z)-prop-1-enyl]dec-3-enyl]-4,5-dihydroisoindole-1,3-dione

ethane;2-[(Z)-5-ethyl-8-methyl-2-methylidene-4-[(Z)-prop-1-enyl]dec-3-enyl]-4,5-dihydroisoindole-1,3-dione (PubChem CID 156819263) has the molecular formula C27H41NO2 and a molecular weight of 411.63 g/mol. Its IUPAC name is ethane;2-[(Z)-5-ethyl-8-methyl-2-methylidene-4-[(Z)-prop-1-enyl]dec-3-enyl]-4,5-dihydroisoindole-1,3-dione.

Molecular Properties

Compound Nameethane;2-[(Z)-5-ethyl-8-methyl-2-methylidene-4-[(Z)-prop-1-enyl]dec-3-enyl]-4,5-dihydroisoindole-1,3-dione
PubChem CID156819263
Molecular FormulaC27H41NO2
Molecular Weight411.63 g/mol
Exact Mass411.31
IUPAC Nameethane;2-[(Z)-5-ethyl-8-methyl-2-methylidene-4-[(Z)-prop-1-enyl]dec-3-enyl]-4,5-dihydroisoindole-1,3-dione
SMILESC=C(/C=C(\C=C/C)C(CC)CCC(C)CC)CN1C(=O)C2=C(CCC=C2)C1=O.CC
InChIInChI=1S/C25H35NO2.C2H6/c1-6-11-21(20(8-3)15-14-18(4)7-2)16-19(5)17-26-24(27)22-12-9-10-13-23(22)25(26)28;1-2/h6,9,11-12,16,18,20H,5,7-8,10,13-15,17H2,1-4H3;1-2H3/b11-6-,21-16+;
InChIKeyXYDZKQRKJAVBIV-MEUVKNRTSA-N
XLogP6.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.63
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[(Z)-5-ethyl-8-methyl-2-methylidene-4-[(Z)-prop-1-enyl]dec-3-enyl]-4,5-dihydroisoindole-1,3-dione?
The IUPAC name of ethane;2-[(Z)-5-ethyl-8-methyl-2-methylidene-4-[(Z)-prop-1-enyl]dec-3-enyl]-4,5-dihydroisoindole-1,3-dione (CID 156819263) is ethane;2-[(Z)-5-ethyl-8-methyl-2-methylidene-4-[(Z)-prop-1-enyl]dec-3-enyl]-4,5-dihydroisoindole-1,3-dione.
What is the SMILES notation for ethane;2-[(Z)-5-ethyl-8-methyl-2-methylidene-4-[(Z)-prop-1-enyl]dec-3-enyl]-4,5-dihydroisoindole-1,3-dione?
The canonical SMILES for ethane;2-[(Z)-5-ethyl-8-methyl-2-methylidene-4-[(Z)-prop-1-enyl]dec-3-enyl]-4,5-dihydroisoindole-1,3-dione is C=C(/C=C(\C=C/C)C(CC)CCC(C)CC)CN1C(=O)C2=C(CCC=C2)C1=O.CC.
What is the InChIKey of ethane;2-[(Z)-5-ethyl-8-methyl-2-methylidene-4-[(Z)-prop-1-enyl]dec-3-enyl]-4,5-dihydroisoindole-1,3-dione?
The InChIKey is XYDZKQRKJAVBIV-MEUVKNRTSA-N. The full InChI is InChI=1S/C25H35NO2.C2H6/c1-6-11-21(20(8-3)15-14-18(4)7-2)16-19(5)17-26-24(27)22-12-9-10-13-23(22)25(26)28;1-2/h6,9,11-12,16,18,20H,5,7-8,10,13-15,17H2,1-4H3;1-2H3/b11-6-,21-16+;.
What are the key properties of ethane;2-[(Z)-5-ethyl-8-methyl-2-methylidene-4-[(Z)-prop-1-enyl]dec-3-enyl]-4,5-dihydroisoindole-1,3-dione?
ethane;2-[(Z)-5-ethyl-8-methyl-2-methylidene-4-[(Z)-prop-1-enyl]dec-3-enyl]-4,5-dihydroisoindole-1,3-dione has a molecular weight of 411.63 g/mol, XLogP of 6.94, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(Z)-5-ethyl-8-methyl-2-methylidene-4-[(Z)-prop-1-enyl]dec-3-enyl]-4,5-dihydroisoindole-1,3-dione is sourced from PubChem (CID 156819263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).