1,4-bis(2-hydroxyethoxy)cyclohexa-2,4-dien-1-ol

C10H16O5 — CID 70372846

IUPAC1,4-bis(2-hydroxyethoxy)cyclohexa-2,4-dien-1-ol
SMILESOCCOC1=CCC(O)(OCCO)C=C1
InChIInChI=1S/C10H16O5/c11-5-7-14-9-1-3-10(13,4-2-9)15-8-6-12/h1-3,11-13H,4-8H2
InChIKeyCCSJBZSWPASWLF-UHFFFAOYSA-N
MW216.23 g/mol
LogP-0.46
Rot. Bonds6

About 1,4-bis(2-hydroxyethoxy)cyclohexa-2,4-dien-1-ol

1,4-bis(2-hydroxyethoxy)cyclohexa-2,4-dien-1-ol (PubChem CID 70372846) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 1,4-bis(2-hydroxyethoxy)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,4-bis(2-hydroxyethoxy)cyclohexa-2,4-dien-1-ol
PubChem CID70372846
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name1,4-bis(2-hydroxyethoxy)cyclohexa-2,4-dien-1-ol
SMILESOCCOC1=CCC(O)(OCCO)C=C1
InChIInChI=1S/C10H16O5/c11-5-7-14-9-1-3-10(13,4-2-9)15-8-6-12/h1-3,11-13H,4-8H2
InChIKeyCCSJBZSWPASWLF-UHFFFAOYSA-N
XLogP-0.46
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-hydroxyethoxy)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,4-bis(2-hydroxyethoxy)cyclohexa-2,4-dien-1-ol (CID 70372846) is 1,4-bis(2-hydroxyethoxy)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,4-bis(2-hydroxyethoxy)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,4-bis(2-hydroxyethoxy)cyclohexa-2,4-dien-1-ol is OCCOC1=CCC(O)(OCCO)C=C1.
What is the InChIKey of 1,4-bis(2-hydroxyethoxy)cyclohexa-2,4-dien-1-ol?
The InChIKey is CCSJBZSWPASWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c11-5-7-14-9-1-3-10(13,4-2-9)15-8-6-12/h1-3,11-13H,4-8H2.
What are the key properties of 1,4-bis(2-hydroxyethoxy)cyclohexa-2,4-dien-1-ol?
1,4-bis(2-hydroxyethoxy)cyclohexa-2,4-dien-1-ol has a molecular weight of 216.23 g/mol, XLogP of -0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-hydroxyethoxy)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 70372846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).