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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(oxolan-3-yl)oxolane-3-carboxylic acid
CID 79426025
1-(oxetan-3-yl)cyclopropan-1-ol
CID 84647707
3-(6-oxaspiro[4.5]decan-9-yl)oxan-3-ol
CID 79913860
4-(oxan-3-yl)piperidin-4-ol
CID 107135511
2,4,4-trimethyl-2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227591
3,3-dimethyl-1-(oxan-4-yl)cyclobutan-1-ol
CID 130893120
2-(oxan-3-yl)-1,3-dihydroinden-2-ol
CID 107135477
2-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol
CID 57477012
8-(oxan-4-yl)spiro[4.5]decan-8-ol
CID 114819579
1,5-dimethyl-3-(oxan-3-yl)pyrrolidin-3-ol
CID 107135663
1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912746
[4-(oxolan-3-yl)oxan-4-yl]methanamine
CID 126973588

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).