(1Z,3Z,5Z,7Z,9Z)-1-propoxydodeca-1,3,5,7,9-pentaene

C15H22O — CID 6440369

IUPAC(1Z,3Z,5Z,7Z,9Z)-1-propoxydodeca-1,3,5,7,9-pentaene
SMILESCC/C=C\C=C/C=C\C=C/C=C\OCCC
InChIInChI=1S/C15H22O/c1-3-5-6-7-8-9-10-11-12-13-15-16-14-4-2/h5-13,15H,3-4,14H2,1-2H3/b6-5-,8-7-,10-9-,12-11-,15-13-
InChIKeyDDGFFDQTTWLPQJ-YUIJFTJLSA-N
MW218.34 g/mol
LogP4.56
Rot. Bonds8

About (1Z,3Z,5Z,7Z,9Z)-1-propoxydodeca-1,3,5,7,9-pentaene

(1Z,3Z,5Z,7Z,9Z)-1-propoxydodeca-1,3,5,7,9-pentaene (PubChem CID 6440369) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (1Z,3Z,5Z,7Z,9Z)-1-propoxydodeca-1,3,5,7,9-pentaene.

Molecular Properties

Compound Name(1Z,3Z,5Z,7Z,9Z)-1-propoxydodeca-1,3,5,7,9-pentaene
PubChem CID6440369
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(1Z,3Z,5Z,7Z,9Z)-1-propoxydodeca-1,3,5,7,9-pentaene
SMILESCC/C=C\C=C/C=C\C=C/C=C\OCCC
InChIInChI=1S/C15H22O/c1-3-5-6-7-8-9-10-11-12-13-15-16-14-4-2/h5-13,15H,3-4,14H2,1-2H3/b6-5-,8-7-,10-9-,12-11-,15-13-
InChIKeyDDGFFDQTTWLPQJ-YUIJFTJLSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.56
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,5Z,7Z,9Z)-1-propoxydodeca-1,3,5,7,9-pentaene?
The IUPAC name of (1Z,3Z,5Z,7Z,9Z)-1-propoxydodeca-1,3,5,7,9-pentaene (CID 6440369) is (1Z,3Z,5Z,7Z,9Z)-1-propoxydodeca-1,3,5,7,9-pentaene.
What is the SMILES notation for (1Z,3Z,5Z,7Z,9Z)-1-propoxydodeca-1,3,5,7,9-pentaene?
The canonical SMILES for (1Z,3Z,5Z,7Z,9Z)-1-propoxydodeca-1,3,5,7,9-pentaene is CC/C=C\C=C/C=C\C=C/C=C\OCCC.
What is the InChIKey of (1Z,3Z,5Z,7Z,9Z)-1-propoxydodeca-1,3,5,7,9-pentaene?
The InChIKey is DDGFFDQTTWLPQJ-YUIJFTJLSA-N. The full InChI is InChI=1S/C15H22O/c1-3-5-6-7-8-9-10-11-12-13-15-16-14-4-2/h5-13,15H,3-4,14H2,1-2H3/b6-5-,8-7-,10-9-,12-11-,15-13-.
What are the key properties of (1Z,3Z,5Z,7Z,9Z)-1-propoxydodeca-1,3,5,7,9-pentaene?
(1Z,3Z,5Z,7Z,9Z)-1-propoxydodeca-1,3,5,7,9-pentaene has a molecular weight of 218.34 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5Z,7Z,9Z)-1-propoxydodeca-1,3,5,7,9-pentaene is sourced from PubChem (CID 6440369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).