(1S,4S)-1,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octane

C8H14O4 — CID 148965628

IUPAC(1S,4S)-1,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octane
SMILESCO[C@H]1CO[C@]2(OC)COC1C2
InChIInChI=1S/C8H14O4/c1-9-7-4-12-8(10-2)3-6(7)11-5-8/h6-7H,3-5H2,1-2H3/t6?,7-,8-/m0/s1
InChIKeyPSRJZFNSCGMWGL-ALKRTJFJSA-N
MW174.20 g/mol
LogP0.16
Rot. Bonds2

About (1S,4S)-1,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octane

(1S,4S)-1,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octane (PubChem CID 148965628) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is (1S,4S)-1,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,4S)-1,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octane
PubChem CID148965628
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name(1S,4S)-1,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octane
SMILESCO[C@H]1CO[C@]2(OC)COC1C2
InChIInChI=1S/C8H14O4/c1-9-7-4-12-8(10-2)3-6(7)11-5-8/h6-7H,3-5H2,1-2H3/t6?,7-,8-/m0/s1
InChIKeyPSRJZFNSCGMWGL-ALKRTJFJSA-N
XLogP0.16
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-1,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octane?
The IUPAC name of (1S,4S)-1,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octane (CID 148965628) is (1S,4S)-1,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,4S)-1,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octane?
The canonical SMILES for (1S,4S)-1,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octane is CO[C@H]1CO[C@]2(OC)COC1C2.
What is the InChIKey of (1S,4S)-1,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octane?
The InChIKey is PSRJZFNSCGMWGL-ALKRTJFJSA-N. The full InChI is InChI=1S/C8H14O4/c1-9-7-4-12-8(10-2)3-6(7)11-5-8/h6-7H,3-5H2,1-2H3/t6?,7-,8-/m0/s1.
What are the key properties of (1S,4S)-1,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octane?
(1S,4S)-1,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octane has a molecular weight of 174.20 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-1,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 148965628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).