2-methylprop-2-enoic acid;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 4-hydroxycyclohexane-1-carboxylate;rhenium

C18H27O6Re- — CID 59356265

IUPAC2-methylprop-2-enoic acid;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 4-hydroxycyclohexane-1-carboxylate;rhenium
SMILESC=C(C)C(=O)O.O=C(OCC1CCC2OC2C1)C1C[CH-]C(O)CC1.[Re]
InChIInChI=1S/C14H21O4.C4H6O2.Re/c15-11-4-2-10(3-5-11)14(16)17-8-9-1-6-12-13(7-9)18-12;1-3(2)4(5)6;/h4,9-13,15H,1-3,5-8H2;1H2,2H3,(H,5,6);/q-1;;
InChIKeyDOLXCFLTHVUISX-UHFFFAOYSA-N
MW525.62 g/mol
LogP2.11
Rot. Bonds4

About 2-methylprop-2-enoic acid;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 4-hydroxycyclohexane-1-carboxylate;rhenium

2-methylprop-2-enoic acid;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 4-hydroxycyclohexane-1-carboxylate;rhenium (PubChem CID 59356265) has the molecular formula C18H27O6Re- and a molecular weight of 525.62 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 4-hydroxycyclohexane-1-carboxylate;rhenium.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 4-hydroxycyclohexane-1-carboxylate;rhenium
PubChem CID59356265
Molecular FormulaC18H27O6Re-
Molecular Weight525.62 g/mol
Exact Mass526.14
IUPAC Name2-methylprop-2-enoic acid;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 4-hydroxycyclohexane-1-carboxylate;rhenium
SMILESC=C(C)C(=O)O.O=C(OCC1CCC2OC2C1)C1C[CH-]C(O)CC1.[Re]
InChIInChI=1S/C14H21O4.C4H6O2.Re/c15-11-4-2-10(3-5-11)14(16)17-8-9-1-6-12-13(7-9)18-12;1-3(2)4(5)6;/h4,9-13,15H,1-3,5-8H2;1H2,2H3,(H,5,6);/q-1;;
InChIKeyDOLXCFLTHVUISX-UHFFFAOYSA-N
XLogP2.11
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.62
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-methylprop-2-enoic acid;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 4-hydroxycyclohexane-1-carboxylate;rhenium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 4-hydroxycyclohexane-1-carboxylate;rhenium?
The IUPAC name of 2-methylprop-2-enoic acid;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 4-hydroxycyclohexane-1-carboxylate;rhenium (CID 59356265) is 2-methylprop-2-enoic acid;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 4-hydroxycyclohexane-1-carboxylate;rhenium.
What is the SMILES notation for 2-methylprop-2-enoic acid;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 4-hydroxycyclohexane-1-carboxylate;rhenium?
The canonical SMILES for 2-methylprop-2-enoic acid;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 4-hydroxycyclohexane-1-carboxylate;rhenium is C=C(C)C(=O)O.O=C(OCC1CCC2OC2C1)C1C[CH-]C(O)CC1.[Re].
What is the InChIKey of 2-methylprop-2-enoic acid;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 4-hydroxycyclohexane-1-carboxylate;rhenium?
The InChIKey is DOLXCFLTHVUISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21O4.C4H6O2.Re/c15-11-4-2-10(3-5-11)14(16)17-8-9-1-6-12-13(7-9)18-12;1-3(2)4(5)6;/h4,9-13,15H,1-3,5-8H2;1H2,2H3,(H,5,6);/q-1;;.
What are the key properties of 2-methylprop-2-enoic acid;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 4-hydroxycyclohexane-1-carboxylate;rhenium?
2-methylprop-2-enoic acid;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 4-hydroxycyclohexane-1-carboxylate;rhenium has a molecular weight of 525.62 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 4-hydroxycyclohexane-1-carboxylate;rhenium is sourced from PubChem (CID 59356265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).