(3E,5E)-18,18-diethoxyoctadeca-3,5-diene

C22H42O2 — CID 175053580

IUPAC(3E,5E)-18,18-diethoxyoctadeca-3,5-diene
SMILESCC/C=C/C=C/CCCCCCCCCCCC(OCC)OCC
InChIInChI=1S/C22H42O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23-5-2)24-6-3/h7-10,22H,4-6,11-21H2,1-3H3/b8-7+,10-9+
InChIKeyJZKNGWXXVUYTSV-XBLVEGMJSA-N
MW338.58 g/mol
LogP7.20
Rot. Bonds18

About (3E,5E)-18,18-diethoxyoctadeca-3,5-diene

(3E,5E)-18,18-diethoxyoctadeca-3,5-diene (PubChem CID 175053580) has the molecular formula C22H42O2 and a molecular weight of 338.58 g/mol. Its IUPAC name is (3E,5E)-18,18-diethoxyoctadeca-3,5-diene.

Molecular Properties

Compound Name(3E,5E)-18,18-diethoxyoctadeca-3,5-diene
PubChem CID175053580
Molecular FormulaC22H42O2
Molecular Weight338.58 g/mol
Exact Mass338.32
IUPAC Name(3E,5E)-18,18-diethoxyoctadeca-3,5-diene
SMILESCC/C=C/C=C/CCCCCCCCCCCC(OCC)OCC
InChIInChI=1S/C22H42O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23-5-2)24-6-3/h7-10,22H,4-6,11-21H2,1-3H3/b8-7+,10-9+
InChIKeyJZKNGWXXVUYTSV-XBLVEGMJSA-N
XLogP7.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E,5E)-18,18-diethoxyoctadeca-3,5-diene 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

16,16-diethoxyhexadec-3-ene
CID 91492223
12,12-dimethoxydodeca-3,5-diene
CID 168861657
15,15-dimethoxypentadeca-3,5-diene
CID 168861653
(3E,5Z,9Z)-16,16-dioctoxyhexadeca-3,5,9-triene
CID 165377062
(5Z,7E)-13-ethoxy-13-[(6E,8Z)-1-ethoxytrideca-6,8-dienoxy]trideca-5,7-diene
CID 162350331
(E)-16,16-diethoxyhexadec-3-en-1-ol
CID 163205889
(5Z,7E)-16,16-dipropoxyhexadeca-5,7-diene
CID 146189754
(Z)-1,1-diethoxy-14-methylhexadec-8-ene
CID 20841393
(E,14R)-1,1-diethoxy-14-methylhexadec-8-ene
CID 6450379
12,12-diethoxydodec-1-ene
CID 146004846
11,11-diethoxy-1-(methoxymethoxy)undec-1-ene
CID 162392533
14,14-diethoxy-1-(ethoxymethoxy)tetradec-1-ene
CID 163205951

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-18,18-diethoxyoctadeca-3,5-diene?
The IUPAC name of (3E,5E)-18,18-diethoxyoctadeca-3,5-diene (CID 175053580) is (3E,5E)-18,18-diethoxyoctadeca-3,5-diene.
What is the SMILES notation for (3E,5E)-18,18-diethoxyoctadeca-3,5-diene?
The canonical SMILES for (3E,5E)-18,18-diethoxyoctadeca-3,5-diene is CC/C=C/C=C/CCCCCCCCCCCC(OCC)OCC.
What is the InChIKey of (3E,5E)-18,18-diethoxyoctadeca-3,5-diene?
The InChIKey is JZKNGWXXVUYTSV-XBLVEGMJSA-N. The full InChI is InChI=1S/C22H42O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23-5-2)24-6-3/h7-10,22H,4-6,11-21H2,1-3H3/b8-7+,10-9+.
What are the key properties of (3E,5E)-18,18-diethoxyoctadeca-3,5-diene?
(3E,5E)-18,18-diethoxyoctadeca-3,5-diene has a molecular weight of 338.58 g/mol, XLogP of 7.20, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-18,18-diethoxyoctadeca-3,5-diene is sourced from PubChem (CID 175053580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).