(3E)-17,17-dimethoxyheptadeca-1,3-diene

C19H36O2 — CID 163205429

IUPAC(3E)-17,17-dimethoxyheptadeca-1,3-diene
SMILESC=C/C=C/CCCCCCCCCCCCC(OC)OC
InChIInChI=1S/C19H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20-2)21-3/h4-6,19H,1,7-18H2,2-3H3/b6-5+
InChIKeyVPWUCGFOWIPRED-AATRIKPKSA-N
MW296.50 g/mol
LogP6.03
Rot. Bonds16

About (3E)-17,17-dimethoxyheptadeca-1,3-diene

(3E)-17,17-dimethoxyheptadeca-1,3-diene (PubChem CID 163205429) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is (3E)-17,17-dimethoxyheptadeca-1,3-diene.

Molecular Properties

Compound Name(3E)-17,17-dimethoxyheptadeca-1,3-diene
PubChem CID163205429
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name(3E)-17,17-dimethoxyheptadeca-1,3-diene
SMILESC=C/C=C/CCCCCCCCCCCCC(OC)OC
InChIInChI=1S/C19H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20-2)21-3/h4-6,19H,1,7-18H2,2-3H3/b6-5+
InChIKeyVPWUCGFOWIPRED-AATRIKPKSA-N
XLogP6.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 56.03
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'}

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Related Compounds

(3Z)-10,10-dimethoxydeca-1,3-diene
CID 163205940
(3E)-13,13-dimethoxytrideca-1,3-diene
CID 13111838
(3Z)-8,8-dimethoxyocta-1,3-diene
CID 163205415
12,12-dimethoxydodeca-3,5-diene
CID 168861657
15,15-dimethoxypentadeca-3,5-diene
CID 168861653
1-chloro-11,11-dimethoxyundec-4-ene
CID 165174939
11-methyldodeca-1,3-diene
CID 154156925
(3E)-12,12-dibutoxydodeca-1,3-diene
CID 163205499
(3Z)-14,14-dibutoxytetradeca-1,3-diene
CID 163205845
(Z)-16,16-dimethoxyhexadec-7-ene
CID 6438015
(Z)-1-chloro-9,9-dimethoxynon-3-ene
CID 163205549
11-ethyltrideca-1,3-diene
CID 163546682

Frequently Asked Questions

What is the IUPAC name of (3E)-17,17-dimethoxyheptadeca-1,3-diene?
The IUPAC name of (3E)-17,17-dimethoxyheptadeca-1,3-diene (CID 163205429) is (3E)-17,17-dimethoxyheptadeca-1,3-diene.
What is the SMILES notation for (3E)-17,17-dimethoxyheptadeca-1,3-diene?
The canonical SMILES for (3E)-17,17-dimethoxyheptadeca-1,3-diene is C=C/C=C/CCCCCCCCCCCCC(OC)OC.
What is the InChIKey of (3E)-17,17-dimethoxyheptadeca-1,3-diene?
The InChIKey is VPWUCGFOWIPRED-AATRIKPKSA-N. The full InChI is InChI=1S/C19H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20-2)21-3/h4-6,19H,1,7-18H2,2-3H3/b6-5+.
What are the key properties of (3E)-17,17-dimethoxyheptadeca-1,3-diene?
(3E)-17,17-dimethoxyheptadeca-1,3-diene has a molecular weight of 296.50 g/mol, XLogP of 6.03, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-17,17-dimethoxyheptadeca-1,3-diene is sourced from PubChem (CID 163205429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).