ethane;(5Z,6E)-6-methoxy-5-(2-methoxyethylidene)nona-6,8-dien-2-one

C15H26O3 — CID 142975054

IUPACethane;(5Z,6E)-6-methoxy-5-(2-methoxyethylidene)nona-6,8-dien-2-one
SMILESC=C/C=C(OC)\C(=C/COC)CCC(C)=O.CC
InChIInChI=1S/C13H20O3.C2H6/c1-5-6-13(16-4)12(9-10-15-3)8-7-11(2)14;1-2/h5-6,9H,1,7-8,10H2,2-4H3;1-2H3/b12-9-,13-6+;
InChIKeyWIGTWTQOBOVYKG-ZUUWMOECSA-N
MW254.37 g/mol
LogP3.67
Rot. Bonds8

About ethane;(5Z,6E)-6-methoxy-5-(2-methoxyethylidene)nona-6,8-dien-2-one

ethane;(5Z,6E)-6-methoxy-5-(2-methoxyethylidene)nona-6,8-dien-2-one (PubChem CID 142975054) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is ethane;(5Z,6E)-6-methoxy-5-(2-methoxyethylidene)nona-6,8-dien-2-one.

Molecular Properties

Compound Nameethane;(5Z,6E)-6-methoxy-5-(2-methoxyethylidene)nona-6,8-dien-2-one
PubChem CID142975054
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Nameethane;(5Z,6E)-6-methoxy-5-(2-methoxyethylidene)nona-6,8-dien-2-one
SMILESC=C/C=C(OC)\C(=C/COC)CCC(C)=O.CC
InChIInChI=1S/C13H20O3.C2H6/c1-5-6-13(16-4)12(9-10-15-3)8-7-11(2)14;1-2/h5-6,9H,1,7-8,10H2,2-4H3;1-2H3/b12-9-,13-6+;
InChIKeyWIGTWTQOBOVYKG-ZUUWMOECSA-N
XLogP3.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;(5Z,6E)-6-methoxy-5-(2-methoxyethylidene)nona-6,8-dien-2-one 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-(3-Methylbut-2-enoxy)cyclohex-2-en-1-one
CID 102168115
(3Z)-2-butyl-3,4-dimethoxyhepta-1,3,6-trien-1-one
CID 134893468
5,7-Dihydrochromen-6-one
CID 19760469
4-(5-methyl-2H-pyran-2-yl)pentan-2-one
CID 22899288
1-(2H-pyran-5-yl)pentan-2-one
CID 91294448
5-(1-Butoxyethenyl)-8-methyl-4-prop-2-enylidenedeca-5,7-diene-2,3-dione
CID 91458949
6-Ethylidene-9-methoxydeca-7,9-dien-2-one
CID 123625183
3-[5-[(Z)-prop-1-enyl]-2,3-dihydrofuran-4-yl]but-3-en-2-one
CID 135190483
4-Butyl-3-methoxycyclohexa-2,4-dien-1-one
CID 141398364
Methyl 3-(4-ethoxycyclohepta-1,3,5-trien-1-yl)propanoate
CID 141901979
(7Z,8E)-7-ethylidene-8-methoxyundeca-8,10-dien-4-one
CID 141951409
(6Z)-8-methoxy-5-methylidenenona-6,8-dien-2-one
CID 141997427

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z,6E)-6-methoxy-5-(2-methoxyethylidene)nona-6,8-dien-2-one?
The IUPAC name of ethane;(5Z,6E)-6-methoxy-5-(2-methoxyethylidene)nona-6,8-dien-2-one (CID 142975054) is ethane;(5Z,6E)-6-methoxy-5-(2-methoxyethylidene)nona-6,8-dien-2-one.
What is the SMILES notation for ethane;(5Z,6E)-6-methoxy-5-(2-methoxyethylidene)nona-6,8-dien-2-one?
The canonical SMILES for ethane;(5Z,6E)-6-methoxy-5-(2-methoxyethylidene)nona-6,8-dien-2-one is C=C/C=C(OC)\C(=C/COC)CCC(C)=O.CC.
What is the InChIKey of ethane;(5Z,6E)-6-methoxy-5-(2-methoxyethylidene)nona-6,8-dien-2-one?
The InChIKey is WIGTWTQOBOVYKG-ZUUWMOECSA-N. The full InChI is InChI=1S/C13H20O3.C2H6/c1-5-6-13(16-4)12(9-10-15-3)8-7-11(2)14;1-2/h5-6,9H,1,7-8,10H2,2-4H3;1-2H3/b12-9-,13-6+;.
What are the key properties of ethane;(5Z,6E)-6-methoxy-5-(2-methoxyethylidene)nona-6,8-dien-2-one?
ethane;(5Z,6E)-6-methoxy-5-(2-methoxyethylidene)nona-6,8-dien-2-one has a molecular weight of 254.37 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z,6E)-6-methoxy-5-(2-methoxyethylidene)nona-6,8-dien-2-one is sourced from PubChem (CID 142975054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).