1-[1,4-dihydroxy-1-(2-hydroxyethoxy)butyl]cyclohexane-1,4-diol

C12H24O6 — CID 67723927

IUPAC1-[1,4-dihydroxy-1-(2-hydroxyethoxy)butyl]cyclohexane-1,4-diol
SMILESOCCCC(O)(OCCO)C1(O)CCC(O)CC1
InChIInChI=1S/C12H24O6/c13-7-1-4-12(17,18-9-8-14)11(16)5-2-10(15)3-6-11/h10,13-17H,1-9H2
InChIKeyOFSYKLJEVBAVEA-UHFFFAOYSA-N
MW264.32 g/mol
LogP-0.88
Rot. Bonds7

About 1-[1,4-dihydroxy-1-(2-hydroxyethoxy)butyl]cyclohexane-1,4-diol

1-[1,4-dihydroxy-1-(2-hydroxyethoxy)butyl]cyclohexane-1,4-diol (PubChem CID 67723927) has the molecular formula C12H24O6 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[1,4-dihydroxy-1-(2-hydroxyethoxy)butyl]cyclohexane-1,4-diol.

Molecular Properties

Compound Name1-[1,4-dihydroxy-1-(2-hydroxyethoxy)butyl]cyclohexane-1,4-diol
PubChem CID67723927
Molecular FormulaC12H24O6
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name1-[1,4-dihydroxy-1-(2-hydroxyethoxy)butyl]cyclohexane-1,4-diol
SMILESOCCCC(O)(OCCO)C1(O)CCC(O)CC1
InChIInChI=1S/C12H24O6/c13-7-1-4-12(17,18-9-8-14)11(16)5-2-10(15)3-6-11/h10,13-17H,1-9H2
InChIKeyOFSYKLJEVBAVEA-UHFFFAOYSA-N
XLogP-0.88
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 5-0.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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-[1,4-dihydroxy-1-(2-hydroxyethoxy)butyl]cyclohexane-1,4-diol?
The IUPAC name of 1-[1,4-dihydroxy-1-(2-hydroxyethoxy)butyl]cyclohexane-1,4-diol (CID 67723927) is 1-[1,4-dihydroxy-1-(2-hydroxyethoxy)butyl]cyclohexane-1,4-diol.
What is the SMILES notation for 1-[1,4-dihydroxy-1-(2-hydroxyethoxy)butyl]cyclohexane-1,4-diol?
The canonical SMILES for 1-[1,4-dihydroxy-1-(2-hydroxyethoxy)butyl]cyclohexane-1,4-diol is OCCCC(O)(OCCO)C1(O)CCC(O)CC1.
What is the InChIKey of 1-[1,4-dihydroxy-1-(2-hydroxyethoxy)butyl]cyclohexane-1,4-diol?
The InChIKey is OFSYKLJEVBAVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O6/c13-7-1-4-12(17,18-9-8-14)11(16)5-2-10(15)3-6-11/h10,13-17H,1-9H2.
What are the key properties of 1-[1,4-dihydroxy-1-(2-hydroxyethoxy)butyl]cyclohexane-1,4-diol?
1-[1,4-dihydroxy-1-(2-hydroxyethoxy)butyl]cyclohexane-1,4-diol has a molecular weight of 264.32 g/mol, XLogP of -0.88, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,4-dihydroxy-1-(2-hydroxyethoxy)butyl]cyclohexane-1,4-diol is sourced from PubChem (CID 67723927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).