6-(oxolan-3-yl)-1,4-dioxepan-6-ol

C9H16O4 — CID 130559698

IUPAC6-(oxolan-3-yl)-1,4-dioxepan-6-ol
SMILESOC1(C2CCOC2)COCCOC1
InChIInChI=1S/C9H16O4/c10-9(8-1-2-11-5-8)6-12-3-4-13-7-9/h8,10H,1-7H2
InChIKeyINNAWONDHHZVJR-UHFFFAOYSA-N
MW188.22 g/mol
LogP-0.20
Rot. Bonds1

About 6-(oxolan-3-yl)-1,4-dioxepan-6-ol

6-(oxolan-3-yl)-1,4-dioxepan-6-ol (PubChem CID 130559698) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 6-(oxolan-3-yl)-1,4-dioxepan-6-ol.

Molecular Properties

Compound Name6-(oxolan-3-yl)-1,4-dioxepan-6-ol
PubChem CID130559698
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name6-(oxolan-3-yl)-1,4-dioxepan-6-ol
SMILESOC1(C2CCOC2)COCCOC1
InChIInChI=1S/C9H16O4/c10-9(8-1-2-11-5-8)6-12-3-4-13-7-9/h8,10H,1-7H2
InChIKeyINNAWONDHHZVJR-UHFFFAOYSA-N
XLogP-0.20
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-3-yl)-1,4-dioxepan-6-ol?
The IUPAC name of 6-(oxolan-3-yl)-1,4-dioxepan-6-ol (CID 130559698) is 6-(oxolan-3-yl)-1,4-dioxepan-6-ol.
What is the SMILES notation for 6-(oxolan-3-yl)-1,4-dioxepan-6-ol?
The canonical SMILES for 6-(oxolan-3-yl)-1,4-dioxepan-6-ol is OC1(C2CCOC2)COCCOC1.
What is the InChIKey of 6-(oxolan-3-yl)-1,4-dioxepan-6-ol?
The InChIKey is INNAWONDHHZVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c10-9(8-1-2-11-5-8)6-12-3-4-13-7-9/h8,10H,1-7H2.
What are the key properties of 6-(oxolan-3-yl)-1,4-dioxepan-6-ol?
6-(oxolan-3-yl)-1,4-dioxepan-6-ol has a molecular weight of 188.22 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-3-yl)-1,4-dioxepan-6-ol is sourced from PubChem (CID 130559698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).