(2Z,5Z,8Z,11Z,14Z)-17,17-dimethoxyheptadeca-2,5,8,11,14-pentaene

C19H30O2 — CID 102155570

IUPAC(2Z,5Z,8Z,11Z,14Z)-17,17-dimethoxyheptadeca-2,5,8,11,14-pentaene
SMILESC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(OC)OC
InChIInChI=1S/C19H30O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20-2)21-3/h4-5,7-8,10-11,13-14,16-17,19H,6,9,12,15,18H2,1-3H3/b5-4-,8-7-,11-10-,14-13-,17-16-
InChIKeyPAZAPHCHWSWSOQ-JEBPEJKESA-N
MW290.45 g/mol
LogP5.36
Rot. Bonds12

About (2Z,5Z,8Z,11Z,14Z)-17,17-dimethoxyheptadeca-2,5,8,11,14-pentaene

(2Z,5Z,8Z,11Z,14Z)-17,17-dimethoxyheptadeca-2,5,8,11,14-pentaene (PubChem CID 102155570) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is (2Z,5Z,8Z,11Z,14Z)-17,17-dimethoxyheptadeca-2,5,8,11,14-pentaene.

Molecular Properties

Compound Name(2Z,5Z,8Z,11Z,14Z)-17,17-dimethoxyheptadeca-2,5,8,11,14-pentaene
PubChem CID102155570
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name(2Z,5Z,8Z,11Z,14Z)-17,17-dimethoxyheptadeca-2,5,8,11,14-pentaene
SMILESC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(OC)OC
InChIInChI=1S/C19H30O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20-2)21-3/h4-5,7-8,10-11,13-14,16-17,19H,6,9,12,15,18H2,1-3H3/b5-4-,8-7-,11-10-,14-13-,17-16-
InChIKeyPAZAPHCHWSWSOQ-JEBPEJKESA-N
XLogP5.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,5Z,8Z,11Z,14Z)-17,17-dimethoxyheptadeca-2,5,8,11,14-pentaene with MolForge

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Related Compounds

(E)-6,6-dimethoxyhex-3-en-1-ol
CID 163205453
(Z)-6-chloro-1,1-dimethoxyhex-3-ene
CID 163205427
hepta-2,5-diene;rhodium
CID 159015179
ethane;(2Z,5Z)-hepta-2,5-diene
CID 142853970
5,5-dimethoxypent-2-enylphosphonic acid
CID 174637518
(3Z,6Z,9Z)-1,1-diethoxydodeca-3,6,9-triene
CID 10879603
5-chloro-5-methoxypent-2-ene
CID 173279863
ethane;(Z)-5-methoxyhex-2-ene
CID 145378965
(3Z,6Z,9Z)-1,1-di(propan-2-yloxy)dodeca-3,6,9-triene
CID 10564737
methyl 5,5-dimethoxypent-2-enoate
CID 71373953
(7Z,10E)-2,5-dimethyldodeca-1,7,10-triene
CID 143072031
1-[(E)-4,4-dimethoxybut-1-enyl]-3-fluorobenzene
CID 71465696

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z,8Z,11Z,14Z)-17,17-dimethoxyheptadeca-2,5,8,11,14-pentaene?
The IUPAC name of (2Z,5Z,8Z,11Z,14Z)-17,17-dimethoxyheptadeca-2,5,8,11,14-pentaene (CID 102155570) is (2Z,5Z,8Z,11Z,14Z)-17,17-dimethoxyheptadeca-2,5,8,11,14-pentaene.
What is the SMILES notation for (2Z,5Z,8Z,11Z,14Z)-17,17-dimethoxyheptadeca-2,5,8,11,14-pentaene?
The canonical SMILES for (2Z,5Z,8Z,11Z,14Z)-17,17-dimethoxyheptadeca-2,5,8,11,14-pentaene is C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(OC)OC.
What is the InChIKey of (2Z,5Z,8Z,11Z,14Z)-17,17-dimethoxyheptadeca-2,5,8,11,14-pentaene?
The InChIKey is PAZAPHCHWSWSOQ-JEBPEJKESA-N. The full InChI is InChI=1S/C19H30O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20-2)21-3/h4-5,7-8,10-11,13-14,16-17,19H,6,9,12,15,18H2,1-3H3/b5-4-,8-7-,11-10-,14-13-,17-16-.
What are the key properties of (2Z,5Z,8Z,11Z,14Z)-17,17-dimethoxyheptadeca-2,5,8,11,14-pentaene?
(2Z,5Z,8Z,11Z,14Z)-17,17-dimethoxyheptadeca-2,5,8,11,14-pentaene has a molecular weight of 290.45 g/mol, XLogP of 5.36, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z,8Z,11Z,14Z)-17,17-dimethoxyheptadeca-2,5,8,11,14-pentaene is sourced from PubChem (CID 102155570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).