(7-methoxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl)methanol;rhenium

C8H14O4Re — CID 59687274

IUPAC(7-methoxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl)methanol;rhenium
SMILESCOC1C2OCC1(CO)OC2C.[Re]
InChIInChI=1S/C8H14O4.Re/c1-5-6-7(10-2)8(3-9,12-5)4-11-6;/h5-7,9H,3-4H2,1-2H3;
InChIKeyHOMMNRQVTBDRBH-UHFFFAOYSA-N
MW360.40 g/mol
LogP-0.45
Rot. Bonds2

About (7-methoxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl)methanol;rhenium

(7-methoxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl)methanol;rhenium (PubChem CID 59687274) has the molecular formula C8H14O4Re and a molecular weight of 360.40 g/mol. Its IUPAC name is (7-methoxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl)methanol;rhenium.

Molecular Properties

Compound Name(7-methoxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl)methanol;rhenium
PubChem CID59687274
Molecular FormulaC8H14O4Re
Molecular Weight360.40 g/mol
Exact Mass361.04
IUPAC Name(7-methoxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl)methanol;rhenium
SMILESCOC1C2OCC1(CO)OC2C.[Re]
InChIInChI=1S/C8H14O4.Re/c1-5-6-7(10-2)8(3-9,12-5)4-11-6;/h5-7,9H,3-4H2,1-2H3;
InChIKeyHOMMNRQVTBDRBH-UHFFFAOYSA-N
XLogP-0.45
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-methoxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl)methanol;rhenium?
The IUPAC name of (7-methoxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl)methanol;rhenium (CID 59687274) is (7-methoxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl)methanol;rhenium.
What is the SMILES notation for (7-methoxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl)methanol;rhenium?
The canonical SMILES for (7-methoxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl)methanol;rhenium is COC1C2OCC1(CO)OC2C.[Re].
What is the InChIKey of (7-methoxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl)methanol;rhenium?
The InChIKey is HOMMNRQVTBDRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4.Re/c1-5-6-7(10-2)8(3-9,12-5)4-11-6;/h5-7,9H,3-4H2,1-2H3;.
What are the key properties of (7-methoxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl)methanol;rhenium?
(7-methoxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl)methanol;rhenium has a molecular weight of 360.40 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl)methanol;rhenium is sourced from PubChem (CID 59687274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).