(1R,2R,5R)-4-methoxy-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol

C7H10O4 — CID 131037879

IUPAC(1R,2R,5R)-4-methoxy-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol
SMILESCOC1=C[C@@H](O)[C@H]2CO[C@@H]1O2
InChIInChI=1S/C7H10O4/c1-9-5-2-4(8)6-3-10-7(5)11-6/h2,4,6-8H,3H2,1H3/t4-,6-,7-/m1/s1
InChIKeyKIZJSJIDTKAXRD-QPPQHZFASA-N
MW158.15 g/mol
LogP-0.37
Rot. Bonds1

About (1R,2R,5R)-4-methoxy-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol

(1R,2R,5R)-4-methoxy-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol (PubChem CID 131037879) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is (1R,2R,5R)-4-methoxy-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol.

Molecular Properties

Compound Name(1R,2R,5R)-4-methoxy-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol
PubChem CID131037879
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name(1R,2R,5R)-4-methoxy-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol
SMILESCOC1=C[C@@H](O)[C@H]2CO[C@@H]1O2
InChIInChI=1S/C7H10O4/c1-9-5-2-4(8)6-3-10-7(5)11-6/h2,4,6-8H,3H2,1H3/t4-,6-,7-/m1/s1
InChIKeyKIZJSJIDTKAXRD-QPPQHZFASA-N
XLogP-0.37
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R)-4-methoxy-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol?
The IUPAC name of (1R,2R,5R)-4-methoxy-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol (CID 131037879) is (1R,2R,5R)-4-methoxy-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol.
What is the SMILES notation for (1R,2R,5R)-4-methoxy-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol?
The canonical SMILES for (1R,2R,5R)-4-methoxy-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol is COC1=C[C@@H](O)[C@H]2CO[C@@H]1O2.
What is the InChIKey of (1R,2R,5R)-4-methoxy-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol?
The InChIKey is KIZJSJIDTKAXRD-QPPQHZFASA-N. The full InChI is InChI=1S/C7H10O4/c1-9-5-2-4(8)6-3-10-7(5)11-6/h2,4,6-8H,3H2,1H3/t4-,6-,7-/m1/s1.
What are the key properties of (1R,2R,5R)-4-methoxy-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol?
(1R,2R,5R)-4-methoxy-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol has a molecular weight of 158.15 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R)-4-methoxy-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol is sourced from PubChem (CID 131037879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).