[(1R)-9-methyl-3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl] formate

C10H14O4 — CID 144962155

IUPAC[(1R)-9-methyl-3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl] formate
SMILESCC1C2C3OCC2C(OC=O)[C@H]1CO3
InChIInChI=1S/C10H14O4/c1-5-6-2-12-10-8(5)7(3-13-10)9(6)14-4-11/h4-10H,2-3H2,1H3/t5?,6-,7?,8?,9?,10?/m0/s1
InChIKeyZVSZOLJTGVQXIR-PNZUQCHKSA-N
MW198.22 g/mol
LogP0.41
Rot. Bonds2

About [(1R)-9-methyl-3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl] formate

[(1R)-9-methyl-3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl] formate (PubChem CID 144962155) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is [(1R)-9-methyl-3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl] formate.

Molecular Properties

Compound Name[(1R)-9-methyl-3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl] formate
PubChem CID144962155
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name[(1R)-9-methyl-3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl] formate
SMILESCC1C2C3OCC2C(OC=O)[C@H]1CO3
InChIInChI=1S/C10H14O4/c1-5-6-2-12-10-8(5)7(3-13-10)9(6)14-4-11/h4-10H,2-3H2,1H3/t5?,6-,7?,8?,9?,10?/m0/s1
InChIKeyZVSZOLJTGVQXIR-PNZUQCHKSA-N
XLogP0.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.41
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 [(1R)-9-methyl-3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl] formate?
The IUPAC name of [(1R)-9-methyl-3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl] formate (CID 144962155) is [(1R)-9-methyl-3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl] formate.
What is the SMILES notation for [(1R)-9-methyl-3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl] formate?
The canonical SMILES for [(1R)-9-methyl-3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl] formate is CC1C2C3OCC2C(OC=O)[C@H]1CO3.
What is the InChIKey of [(1R)-9-methyl-3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl] formate?
The InChIKey is ZVSZOLJTGVQXIR-PNZUQCHKSA-N. The full InChI is InChI=1S/C10H14O4/c1-5-6-2-12-10-8(5)7(3-13-10)9(6)14-4-11/h4-10H,2-3H2,1H3/t5?,6-,7?,8?,9?,10?/m0/s1.
What are the key properties of [(1R)-9-methyl-3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl] formate?
[(1R)-9-methyl-3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl] formate has a molecular weight of 198.22 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-9-methyl-3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl] formate is sourced from PubChem (CID 144962155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).