(2Z)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol

C11H18O3 — CID 134982743

IUPAC(2Z)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol
SMILESC=C(/C=C\CO)COC1CCCCO1
InChIInChI=1S/C11H18O3/c1-10(5-4-7-12)9-14-11-6-2-3-8-13-11/h4-5,11-12H,1-3,6-9H2/b5-4-
InChIKeyKCEFHXVKADDZEQ-PLNGDYQASA-N
MW198.26 g/mol
LogP1.63
Rot. Bonds5

About (2Z)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol

(2Z)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol (PubChem CID 134982743) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (2Z)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2Z)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol
PubChem CID134982743
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(2Z)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol
SMILESC=C(/C=C\CO)COC1CCCCO1
InChIInChI=1S/C11H18O3/c1-10(5-4-7-12)9-14-11-6-2-3-8-13-11/h4-5,11-12H,1-3,6-9H2/b5-4-
InChIKeyKCEFHXVKADDZEQ-PLNGDYQASA-N
XLogP1.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol?
The IUPAC name of (2Z)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol (CID 134982743) is (2Z)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol.
What is the SMILES notation for (2Z)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol?
The canonical SMILES for (2Z)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol is C=C(/C=C\CO)COC1CCCCO1.
What is the InChIKey of (2Z)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol?
The InChIKey is KCEFHXVKADDZEQ-PLNGDYQASA-N. The full InChI is InChI=1S/C11H18O3/c1-10(5-4-7-12)9-14-11-6-2-3-8-13-11/h4-5,11-12H,1-3,6-9H2/b5-4-.
What are the key properties of (2Z)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol?
(2Z)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol has a molecular weight of 198.26 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol is sourced from PubChem (CID 134982743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).