ethane;[(Z,2Z)-4-ethyl-3-methoxy-2-propylidenehept-3-enyl]benzene

C23H40O — CID 142986178

IUPACethane;[(Z,2Z)-4-ethyl-3-methoxy-2-propylidenehept-3-enyl]benzene
SMILESCC.CC.CC/C=C(Cc1ccccc1)\C(OC)=C(/CC)CCC
InChIInChI=1S/C19H28O.2C2H6/c1-5-11-17(7-3)19(20-4)18(12-6-2)15-16-13-9-8-10-14-16;2*1-2/h8-10,12-14H,5-7,11,15H2,1-4H3;2*1-2H3/b18-12-,19-17-;;
InChIKeyCVHCVKZUHRGOQY-IOQMKEOLSA-N
MW332.57 g/mol
LogP7.73
Rot. Bonds8

About ethane;[(Z,2Z)-4-ethyl-3-methoxy-2-propylidenehept-3-enyl]benzene

ethane;[(Z,2Z)-4-ethyl-3-methoxy-2-propylidenehept-3-enyl]benzene (PubChem CID 142986178) has the molecular formula C23H40O and a molecular weight of 332.57 g/mol. Its IUPAC name is ethane;[(Z,2Z)-4-ethyl-3-methoxy-2-propylidenehept-3-enyl]benzene.

Molecular Properties

Compound Nameethane;[(Z,2Z)-4-ethyl-3-methoxy-2-propylidenehept-3-enyl]benzene
PubChem CID142986178
Molecular FormulaC23H40O
Molecular Weight332.57 g/mol
Exact Mass332.31
IUPAC Nameethane;[(Z,2Z)-4-ethyl-3-methoxy-2-propylidenehept-3-enyl]benzene
SMILESCC.CC.CC/C=C(Cc1ccccc1)\C(OC)=C(/CC)CCC
InChIInChI=1S/C19H28O.2C2H6/c1-5-11-17(7-3)19(20-4)18(12-6-2)15-16-13-9-8-10-14-16;2*1-2/h8-10,12-14H,5-7,11,15H2,1-4H3;2*1-2H3/b18-12-,19-17-;;
InChIKeyCVHCVKZUHRGOQY-IOQMKEOLSA-N
XLogP7.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.57
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-benzylhept-3-en-1-yn-3-ol
CID 154056983
methyl (E)-2-benzyloct-2-enoate
CID 11010254
(2-phenylacetyl) butanoate
CID 54432060
1-methoxybut-1-enylbenzene
CID 69305429
[(2Z)-2-(methoxymethylidene)decyl]benzene
CID 91807526
3-benzyl-4-methoxy-4-oxobut-2-enoic acid
CID 54199349
dimethyl (E)-2-benzyloct-2-enedioate
CID 134955022
2-methoxy-3-phenylundec-2-enoic acid
CID 54315676
N-(1-phenylpentan-2-ylidene)hydroxylamine
CID 131860547
azane;2-benzyl-3-propylhex-2-enamide
CID 175253632
N-(2-phenylacetyl)octadecanamide
CID 175258087
N-(pentan-2-ylideneamino)-2-phenylacetamide
CID 4057395

Frequently Asked Questions

What is the IUPAC name of ethane;[(Z,2Z)-4-ethyl-3-methoxy-2-propylidenehept-3-enyl]benzene?
The IUPAC name of ethane;[(Z,2Z)-4-ethyl-3-methoxy-2-propylidenehept-3-enyl]benzene (CID 142986178) is ethane;[(Z,2Z)-4-ethyl-3-methoxy-2-propylidenehept-3-enyl]benzene.
What is the SMILES notation for ethane;[(Z,2Z)-4-ethyl-3-methoxy-2-propylidenehept-3-enyl]benzene?
The canonical SMILES for ethane;[(Z,2Z)-4-ethyl-3-methoxy-2-propylidenehept-3-enyl]benzene is CC.CC.CC/C=C(Cc1ccccc1)\C(OC)=C(/CC)CCC.
What is the InChIKey of ethane;[(Z,2Z)-4-ethyl-3-methoxy-2-propylidenehept-3-enyl]benzene?
The InChIKey is CVHCVKZUHRGOQY-IOQMKEOLSA-N. The full InChI is InChI=1S/C19H28O.2C2H6/c1-5-11-17(7-3)19(20-4)18(12-6-2)15-16-13-9-8-10-14-16;2*1-2/h8-10,12-14H,5-7,11,15H2,1-4H3;2*1-2H3/b18-12-,19-17-;;.
What are the key properties of ethane;[(Z,2Z)-4-ethyl-3-methoxy-2-propylidenehept-3-enyl]benzene?
ethane;[(Z,2Z)-4-ethyl-3-methoxy-2-propylidenehept-3-enyl]benzene has a molecular weight of 332.57 g/mol, XLogP of 7.73, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(Z,2Z)-4-ethyl-3-methoxy-2-propylidenehept-3-enyl]benzene is sourced from PubChem (CID 142986178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).