(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl cyclohexanecarboxylate

C15H24O3 — CID 140970543

IUPAC(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl cyclohexanecarboxylate
SMILESCC1CC2OC2CC1COC(=O)C1CCCCC1
InChIInChI=1S/C15H24O3/c1-10-7-13-14(18-13)8-12(10)9-17-15(16)11-5-3-2-4-6-11/h10-14H,2-9H2,1H3
InChIKeyBSIYUNUWMVMQGM-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.92
Rot. Bonds3

About (4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl cyclohexanecarboxylate

(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl cyclohexanecarboxylate (PubChem CID 140970543) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl cyclohexanecarboxylate.

Molecular Properties

Compound Name(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl cyclohexanecarboxylate
PubChem CID140970543
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl cyclohexanecarboxylate
SMILESCC1CC2OC2CC1COC(=O)C1CCCCC1
InChIInChI=1S/C15H24O3/c1-10-7-13-14(18-13)8-12(10)9-17-15(16)11-5-3-2-4-6-11/h10-14H,2-9H2,1H3
InChIKeyBSIYUNUWMVMQGM-UHFFFAOYSA-N
XLogP2.92
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl cyclohexanecarboxylate?
The IUPAC name of (4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl cyclohexanecarboxylate (CID 140970543) is (4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl cyclohexanecarboxylate.
What is the SMILES notation for (4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl cyclohexanecarboxylate?
The canonical SMILES for (4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl cyclohexanecarboxylate is CC1CC2OC2CC1COC(=O)C1CCCCC1.
What is the InChIKey of (4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl cyclohexanecarboxylate?
The InChIKey is BSIYUNUWMVMQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-10-7-13-14(18-13)8-12(10)9-17-15(16)11-5-3-2-4-6-11/h10-14H,2-9H2,1H3.
What are the key properties of (4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl cyclohexanecarboxylate?
(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl cyclohexanecarboxylate has a molecular weight of 252.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl cyclohexanecarboxylate is sourced from PubChem (CID 140970543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).