(E)-3-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]oxyprop-2-en-1-ol

C11H16O2 — CID 118689127

IUPAC(E)-3-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]oxyprop-2-en-1-ol
SMILESC=CC(=C\C)/C(=C/C)O/C=C/CO
InChIInChI=1S/C11H16O2/c1-4-10(5-2)11(6-3)13-9-7-8-12/h4-7,9,12H,1,8H2,2-3H3/b9-7+,10-5+,11-6-
InChIKeyIFHRUKHZHHXWPT-DVZXKSEMSA-N
MW180.25 g/mol
LogP2.55
Rot. Bonds5

About (E)-3-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]oxyprop-2-en-1-ol

(E)-3-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]oxyprop-2-en-1-ol (PubChem CID 118689127) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (E)-3-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]oxyprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]oxyprop-2-en-1-ol
PubChem CID118689127
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(E)-3-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]oxyprop-2-en-1-ol
SMILESC=CC(=C\C)/C(=C/C)O/C=C/CO
InChIInChI=1S/C11H16O2/c1-4-10(5-2)11(6-3)13-9-7-8-12/h4-7,9,12H,1,8H2,2-3H3/b9-7+,10-5+,11-6-
InChIKeyIFHRUKHZHHXWPT-DVZXKSEMSA-N
XLogP2.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]oxyprop-2-en-1-ol?
The IUPAC name of (E)-3-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]oxyprop-2-en-1-ol (CID 118689127) is (E)-3-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]oxyprop-2-en-1-ol.
What is the SMILES notation for (E)-3-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]oxyprop-2-en-1-ol?
The canonical SMILES for (E)-3-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]oxyprop-2-en-1-ol is C=CC(=C\C)/C(=C/C)O/C=C/CO.
What is the InChIKey of (E)-3-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]oxyprop-2-en-1-ol?
The InChIKey is IFHRUKHZHHXWPT-DVZXKSEMSA-N. The full InChI is InChI=1S/C11H16O2/c1-4-10(5-2)11(6-3)13-9-7-8-12/h4-7,9,12H,1,8H2,2-3H3/b9-7+,10-5+,11-6-.
What are the key properties of (E)-3-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]oxyprop-2-en-1-ol?
(E)-3-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]oxyprop-2-en-1-ol has a molecular weight of 180.25 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]oxyprop-2-en-1-ol is sourced from PubChem (CID 118689127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).