(3Z)-14,14-dibutoxytetradeca-1,3-diene

C22H42O2 — CID 163205845

IUPAC(3Z)-14,14-dibutoxytetradeca-1,3-diene
SMILESC=C/C=C\CCCCCCCCCC(OCCCC)OCCCC
InChIInChI=1S/C22H42O2/c1-4-7-10-11-12-13-14-15-16-17-18-19-22(23-20-8-5-2)24-21-9-6-3/h4,7,10,22H,1,5-6,8-9,11-21H2,2-3H3/b10-7-
InChIKeyLBNXYTHEEDUTFZ-YFHOEESVSA-N
MW338.58 g/mol
LogP7.20
Rot. Bonds19

About (3Z)-14,14-dibutoxytetradeca-1,3-diene

(3Z)-14,14-dibutoxytetradeca-1,3-diene (PubChem CID 163205845) has the molecular formula C22H42O2 and a molecular weight of 338.58 g/mol. Its IUPAC name is (3Z)-14,14-dibutoxytetradeca-1,3-diene.

Molecular Properties

Compound Name(3Z)-14,14-dibutoxytetradeca-1,3-diene
PubChem CID163205845
Molecular FormulaC22H42O2
Molecular Weight338.58 g/mol
Exact Mass338.32
IUPAC Name(3Z)-14,14-dibutoxytetradeca-1,3-diene
SMILESC=C/C=C\CCCCCCCCCC(OCCCC)OCCCC
InChIInChI=1S/C22H42O2/c1-4-7-10-11-12-13-14-15-16-17-18-19-22(23-20-8-5-2)24-21-9-6-3/h4,7,10,22H,1,5-6,8-9,11-21H2,2-3H3/b10-7-
InChIKeyLBNXYTHEEDUTFZ-YFHOEESVSA-N
XLogP7.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
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 (3Z)-14,14-dibutoxytetradeca-1,3-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

(3E)-12,12-dibutoxydodeca-1,3-diene
CID 163205499
1-[(4Z)-1-nonoxyhepta-4,6-dienoxy]nonane
CID 163205818
(5Z,7E)-16,16-dipropoxyhexadeca-5,7-diene
CID 146189754
(Z)-11,11-dibutoxyundec-3-en-1-ol
CID 163205863
(Z)-18,18-dibutoxyoctadec-3-en-1-ol
CID 163205378
(3E,5Z,9Z)-16,16-dioctoxyhexadeca-3,5,9-triene
CID 165377062
(5Z,7E)-1,1-diheptoxydodeca-5,7-diene
CID 170561608
(3E)-17,17-dimethoxyheptadeca-1,3-diene
CID 163205429
(3E)-13,13-dimethoxytrideca-1,3-diene
CID 13111838
(3Z)-10,10-dimethoxydeca-1,3-diene
CID 163205940
(5Z,7E)-13-octoxy-13-[(6E,8Z)-1-octoxytrideca-6,8-dienoxy]trideca-5,7-diene
CID 162350463
(Z)-1-chloro-14,14-dioctoxytetradec-3-ene
CID 163205372

Frequently Asked Questions

What is the IUPAC name of (3Z)-14,14-dibutoxytetradeca-1,3-diene?
The IUPAC name of (3Z)-14,14-dibutoxytetradeca-1,3-diene (CID 163205845) is (3Z)-14,14-dibutoxytetradeca-1,3-diene.
What is the SMILES notation for (3Z)-14,14-dibutoxytetradeca-1,3-diene?
The canonical SMILES for (3Z)-14,14-dibutoxytetradeca-1,3-diene is C=C/C=C\CCCCCCCCCC(OCCCC)OCCCC.
What is the InChIKey of (3Z)-14,14-dibutoxytetradeca-1,3-diene?
The InChIKey is LBNXYTHEEDUTFZ-YFHOEESVSA-N. The full InChI is InChI=1S/C22H42O2/c1-4-7-10-11-12-13-14-15-16-17-18-19-22(23-20-8-5-2)24-21-9-6-3/h4,7,10,22H,1,5-6,8-9,11-21H2,2-3H3/b10-7-.
What are the key properties of (3Z)-14,14-dibutoxytetradeca-1,3-diene?
(3Z)-14,14-dibutoxytetradeca-1,3-diene has a molecular weight of 338.58 g/mol, XLogP of 7.20, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-14,14-dibutoxytetradeca-1,3-diene is sourced from PubChem (CID 163205845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).