(2-formyloxy-7-bicyclo[2.2.1]heptanyl)methyl formate

C10H14O4 — CID 13173577

IUPAC(2-formyloxy-7-bicyclo[2.2.1]heptanyl)methyl formate
SMILESO=COCC1C2CCC1C(OC=O)C2
InChIInChI=1S/C10H14O4/c11-5-13-4-9-7-1-2-8(9)10(3-7)14-6-12/h5-10H,1-4H2
InChIKeyCMRSYAPDYAKYBF-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.75
Rot. Bonds5

About (2-formyloxy-7-bicyclo[2.2.1]heptanyl)methyl formate

(2-formyloxy-7-bicyclo[2.2.1]heptanyl)methyl formate (PubChem CID 13173577) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (2-formyloxy-7-bicyclo[2.2.1]heptanyl)methyl formate.

Molecular Properties

Compound Name(2-formyloxy-7-bicyclo[2.2.1]heptanyl)methyl formate
PubChem CID13173577
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(2-formyloxy-7-bicyclo[2.2.1]heptanyl)methyl formate
SMILESO=COCC1C2CCC1C(OC=O)C2
InChIInChI=1S/C10H14O4/c11-5-13-4-9-7-1-2-8(9)10(3-7)14-6-12/h5-10H,1-4H2
InChIKeyCMRSYAPDYAKYBF-UHFFFAOYSA-N
XLogP0.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.75
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 (2-formyloxy-7-bicyclo[2.2.1]heptanyl)methyl formate?
The IUPAC name of (2-formyloxy-7-bicyclo[2.2.1]heptanyl)methyl formate (CID 13173577) is (2-formyloxy-7-bicyclo[2.2.1]heptanyl)methyl formate.
What is the SMILES notation for (2-formyloxy-7-bicyclo[2.2.1]heptanyl)methyl formate?
The canonical SMILES for (2-formyloxy-7-bicyclo[2.2.1]heptanyl)methyl formate is O=COCC1C2CCC1C(OC=O)C2.
What is the InChIKey of (2-formyloxy-7-bicyclo[2.2.1]heptanyl)methyl formate?
The InChIKey is CMRSYAPDYAKYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c11-5-13-4-9-7-1-2-8(9)10(3-7)14-6-12/h5-10H,1-4H2.
What are the key properties of (2-formyloxy-7-bicyclo[2.2.1]heptanyl)methyl formate?
(2-formyloxy-7-bicyclo[2.2.1]heptanyl)methyl formate has a molecular weight of 198.22 g/mol, XLogP of 0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formyloxy-7-bicyclo[2.2.1]heptanyl)methyl formate is sourced from PubChem (CID 13173577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).