(3E,5E,6Z,8Z)-3,5-di(ethylidene)deca-1,6,8-trien-4-one

C14H18O — CID 135157772

IUPAC(3E,5E,6Z,8Z)-3,5-di(ethylidene)deca-1,6,8-trien-4-one
SMILESC=C/C(=C\C)C(=O)C(/C=C\C=C/C)=C/C
InChIInChI=1S/C14H18O/c1-5-9-10-11-13(8-4)14(15)12(6-2)7-3/h5-11H,2H2,1,3-4H3/b9-5-,11-10-,12-7+,13-8+
InChIKeyLXXANFCAWOIRKV-IVUAFFBYSA-N
MW202.30 g/mol
LogP3.77
Rot. Bonds5

About (3E,5E,6Z,8Z)-3,5-di(ethylidene)deca-1,6,8-trien-4-one

(3E,5E,6Z,8Z)-3,5-di(ethylidene)deca-1,6,8-trien-4-one (PubChem CID 135157772) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (3E,5E,6Z,8Z)-3,5-di(ethylidene)deca-1,6,8-trien-4-one.

Molecular Properties

Compound Name(3E,5E,6Z,8Z)-3,5-di(ethylidene)deca-1,6,8-trien-4-one
PubChem CID135157772
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(3E,5E,6Z,8Z)-3,5-di(ethylidene)deca-1,6,8-trien-4-one
SMILESC=C/C(=C\C)C(=O)C(/C=C\C=C/C)=C/C
InChIInChI=1S/C14H18O/c1-5-9-10-11-13(8-4)14(15)12(6-2)7-3/h5-11H,2H2,1,3-4H3/b9-5-,11-10-,12-7+,13-8+
InChIKeyLXXANFCAWOIRKV-IVUAFFBYSA-N
XLogP3.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E,6Z,8Z)-3,5-di(ethylidene)deca-1,6,8-trien-4-one?
The IUPAC name of (3E,5E,6Z,8Z)-3,5-di(ethylidene)deca-1,6,8-trien-4-one (CID 135157772) is (3E,5E,6Z,8Z)-3,5-di(ethylidene)deca-1,6,8-trien-4-one.
What is the SMILES notation for (3E,5E,6Z,8Z)-3,5-di(ethylidene)deca-1,6,8-trien-4-one?
The canonical SMILES for (3E,5E,6Z,8Z)-3,5-di(ethylidene)deca-1,6,8-trien-4-one is C=C/C(=C\C)C(=O)C(/C=C\C=C/C)=C/C.
What is the InChIKey of (3E,5E,6Z,8Z)-3,5-di(ethylidene)deca-1,6,8-trien-4-one?
The InChIKey is LXXANFCAWOIRKV-IVUAFFBYSA-N. The full InChI is InChI=1S/C14H18O/c1-5-9-10-11-13(8-4)14(15)12(6-2)7-3/h5-11H,2H2,1,3-4H3/b9-5-,11-10-,12-7+,13-8+.
What are the key properties of (3E,5E,6Z,8Z)-3,5-di(ethylidene)deca-1,6,8-trien-4-one?
(3E,5E,6Z,8Z)-3,5-di(ethylidene)deca-1,6,8-trien-4-one has a molecular weight of 202.30 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,6Z,8Z)-3,5-di(ethylidene)deca-1,6,8-trien-4-one is sourced from PubChem (CID 135157772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).