(3Z,5Z,9Z)-2-[(3Z)-penta-1,3-dien-2-yl]oxyundeca-1,3,5,9-tetraene

C16H22O — CID 170006529

IUPAC(3Z,5Z,9Z)-2-[(3Z)-penta-1,3-dien-2-yl]oxyundeca-1,3,5,9-tetraene
SMILESC=C(/C=C\C)OC(=C)/C=C\C=C/CC/C=C\C
InChIInChI=1S/C16H22O/c1-5-7-8-9-10-11-12-14-16(4)17-15(3)13-6-2/h5-7,10-14H,3-4,8-9H2,1-2H3/b7-5-,11-10-,13-6-,14-12-
InChIKeyPWTXRKHQLFIUOZ-WOVAQNFESA-N
MW230.35 g/mol
LogP5.08
Rot. Bonds8

About (3Z,5Z,9Z)-2-[(3Z)-penta-1,3-dien-2-yl]oxyundeca-1,3,5,9-tetraene

(3Z,5Z,9Z)-2-[(3Z)-penta-1,3-dien-2-yl]oxyundeca-1,3,5,9-tetraene (PubChem CID 170006529) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (3Z,5Z,9Z)-2-[(3Z)-penta-1,3-dien-2-yl]oxyundeca-1,3,5,9-tetraene.

Molecular Properties

Compound Name(3Z,5Z,9Z)-2-[(3Z)-penta-1,3-dien-2-yl]oxyundeca-1,3,5,9-tetraene
PubChem CID170006529
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(3Z,5Z,9Z)-2-[(3Z)-penta-1,3-dien-2-yl]oxyundeca-1,3,5,9-tetraene
SMILESC=C(/C=C\C)OC(=C)/C=C\C=C/CC/C=C\C
InChIInChI=1S/C16H22O/c1-5-7-8-9-10-11-12-14-16(4)17-15(3)13-6-2/h5-7,10-14H,3-4,8-9H2,1-2H3/b7-5-,11-10-,13-6-,14-12-
InChIKeyPWTXRKHQLFIUOZ-WOVAQNFESA-N
XLogP5.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.35
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,9Z)-2-[(3Z)-penta-1,3-dien-2-yl]oxyundeca-1,3,5,9-tetraene?
The IUPAC name of (3Z,5Z,9Z)-2-[(3Z)-penta-1,3-dien-2-yl]oxyundeca-1,3,5,9-tetraene (CID 170006529) is (3Z,5Z,9Z)-2-[(3Z)-penta-1,3-dien-2-yl]oxyundeca-1,3,5,9-tetraene.
What is the SMILES notation for (3Z,5Z,9Z)-2-[(3Z)-penta-1,3-dien-2-yl]oxyundeca-1,3,5,9-tetraene?
The canonical SMILES for (3Z,5Z,9Z)-2-[(3Z)-penta-1,3-dien-2-yl]oxyundeca-1,3,5,9-tetraene is C=C(/C=C\C)OC(=C)/C=C\C=C/CC/C=C\C.
What is the InChIKey of (3Z,5Z,9Z)-2-[(3Z)-penta-1,3-dien-2-yl]oxyundeca-1,3,5,9-tetraene?
The InChIKey is PWTXRKHQLFIUOZ-WOVAQNFESA-N. The full InChI is InChI=1S/C16H22O/c1-5-7-8-9-10-11-12-14-16(4)17-15(3)13-6-2/h5-7,10-14H,3-4,8-9H2,1-2H3/b7-5-,11-10-,13-6-,14-12-.
What are the key properties of (3Z,5Z,9Z)-2-[(3Z)-penta-1,3-dien-2-yl]oxyundeca-1,3,5,9-tetraene?
(3Z,5Z,9Z)-2-[(3Z)-penta-1,3-dien-2-yl]oxyundeca-1,3,5,9-tetraene has a molecular weight of 230.35 g/mol, XLogP of 5.08, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,9Z)-2-[(3Z)-penta-1,3-dien-2-yl]oxyundeca-1,3,5,9-tetraene is sourced from PubChem (CID 170006529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).