[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxan-3-yl)methyl] formate

C16H24O4 — CID 20608182

IUPAC[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxan-3-yl)methyl] formate
SMILESCC1C2CC(C1C)C(C(OC=O)C1CCCOC1=O)C2
InChIInChI=1S/C16H24O4/c1-9-10(2)13-6-11(9)7-14(13)15(20-8-17)12-4-3-5-19-16(12)18/h8-15H,3-7H2,1-2H3
InChIKeyRHYOWEAZNWLTIT-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.41
Rot. Bonds4

About [(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxan-3-yl)methyl] formate

[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxan-3-yl)methyl] formate (PubChem CID 20608182) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is [(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxan-3-yl)methyl] formate.

Molecular Properties

Compound Name[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxan-3-yl)methyl] formate
PubChem CID20608182
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxan-3-yl)methyl] formate
SMILESCC1C2CC(C1C)C(C(OC=O)C1CCCOC1=O)C2
InChIInChI=1S/C16H24O4/c1-9-10(2)13-6-11(9)7-14(13)15(20-8-17)12-4-3-5-19-16(12)18/h8-15H,3-7H2,1-2H3
InChIKeyRHYOWEAZNWLTIT-UHFFFAOYSA-N
XLogP2.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxan-3-yl)methyl] formate?
The IUPAC name of [(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxan-3-yl)methyl] formate (CID 20608182) is [(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxan-3-yl)methyl] formate.
What is the SMILES notation for [(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxan-3-yl)methyl] formate?
The canonical SMILES for [(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxan-3-yl)methyl] formate is CC1C2CC(C1C)C(C(OC=O)C1CCCOC1=O)C2.
What is the InChIKey of [(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxan-3-yl)methyl] formate?
The InChIKey is RHYOWEAZNWLTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-9-10(2)13-6-11(9)7-14(13)15(20-8-17)12-4-3-5-19-16(12)18/h8-15H,3-7H2,1-2H3.
What are the key properties of [(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxan-3-yl)methyl] formate?
[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxan-3-yl)methyl] formate has a molecular weight of 280.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxan-3-yl)methyl] formate is sourced from PubChem (CID 20608182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).