3-[2-(2-hydroxyethoxy)ethoxymethyl]penta-1,4-dien-3-ol

C10H18O4 — CID 87292636

IUPAC3-[2-(2-hydroxyethoxy)ethoxymethyl]penta-1,4-dien-3-ol
SMILESC=CC(O)(C=C)COCCOCCO
InChIInChI=1S/C10H18O4/c1-3-10(12,4-2)9-14-8-7-13-6-5-11/h3-4,11-12H,1-2,5-9H2
InChIKeyIFZAHEGPGFAUSN-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.12
Rot. Bonds9

About 3-[2-(2-hydroxyethoxy)ethoxymethyl]penta-1,4-dien-3-ol

3-[2-(2-hydroxyethoxy)ethoxymethyl]penta-1,4-dien-3-ol (PubChem CID 87292636) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethoxy)ethoxymethyl]penta-1,4-dien-3-ol.

Molecular Properties

Compound Name3-[2-(2-hydroxyethoxy)ethoxymethyl]penta-1,4-dien-3-ol
PubChem CID87292636
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name3-[2-(2-hydroxyethoxy)ethoxymethyl]penta-1,4-dien-3-ol
SMILESC=CC(O)(C=C)COCCOCCO
InChIInChI=1S/C10H18O4/c1-3-10(12,4-2)9-14-8-7-13-6-5-11/h3-4,11-12H,1-2,5-9H2
InChIKeyIFZAHEGPGFAUSN-UHFFFAOYSA-N
XLogP0.12
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethoxy)ethoxymethyl]penta-1,4-dien-3-ol?
The IUPAC name of 3-[2-(2-hydroxyethoxy)ethoxymethyl]penta-1,4-dien-3-ol (CID 87292636) is 3-[2-(2-hydroxyethoxy)ethoxymethyl]penta-1,4-dien-3-ol.
What is the SMILES notation for 3-[2-(2-hydroxyethoxy)ethoxymethyl]penta-1,4-dien-3-ol?
The canonical SMILES for 3-[2-(2-hydroxyethoxy)ethoxymethyl]penta-1,4-dien-3-ol is C=CC(O)(C=C)COCCOCCO.
What is the InChIKey of 3-[2-(2-hydroxyethoxy)ethoxymethyl]penta-1,4-dien-3-ol?
The InChIKey is IFZAHEGPGFAUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-10(12,4-2)9-14-8-7-13-6-5-11/h3-4,11-12H,1-2,5-9H2.
What are the key properties of 3-[2-(2-hydroxyethoxy)ethoxymethyl]penta-1,4-dien-3-ol?
3-[2-(2-hydroxyethoxy)ethoxymethyl]penta-1,4-dien-3-ol has a molecular weight of 202.25 g/mol, XLogP of 0.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethoxy)ethoxymethyl]penta-1,4-dien-3-ol is sourced from PubChem (CID 87292636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).