(6-methyl-2-bicyclo[2.2.1]heptanyl) formate

C9H14O2 — CID 87830815

IUPAC(6-methyl-2-bicyclo[2.2.1]heptanyl) formate
SMILESCC1CC2CC(OC=O)C1C2
InChIInChI=1S/C9H14O2/c1-6-2-7-3-8(6)9(4-7)11-5-10/h5-9H,2-4H2,1H3
InChIKeyQWSRDCWAHFSOGM-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.59
Rot. Bonds2

About (6-methyl-2-bicyclo[2.2.1]heptanyl) formate

(6-methyl-2-bicyclo[2.2.1]heptanyl) formate (PubChem CID 87830815) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (6-methyl-2-bicyclo[2.2.1]heptanyl) formate.

Molecular Properties

Compound Name(6-methyl-2-bicyclo[2.2.1]heptanyl) formate
PubChem CID87830815
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(6-methyl-2-bicyclo[2.2.1]heptanyl) formate
SMILESCC1CC2CC(OC=O)C1C2
InChIInChI=1S/C9H14O2/c1-6-2-7-3-8(6)9(4-7)11-5-10/h5-9H,2-4H2,1H3
InChIKeyQWSRDCWAHFSOGM-UHFFFAOYSA-N
XLogP1.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-bicyclo[2.2.1]heptanyl) formate?
The IUPAC name of (6-methyl-2-bicyclo[2.2.1]heptanyl) formate (CID 87830815) is (6-methyl-2-bicyclo[2.2.1]heptanyl) formate.
What is the SMILES notation for (6-methyl-2-bicyclo[2.2.1]heptanyl) formate?
The canonical SMILES for (6-methyl-2-bicyclo[2.2.1]heptanyl) formate is CC1CC2CC(OC=O)C1C2.
What is the InChIKey of (6-methyl-2-bicyclo[2.2.1]heptanyl) formate?
The InChIKey is QWSRDCWAHFSOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6-2-7-3-8(6)9(4-7)11-5-10/h5-9H,2-4H2,1H3.
What are the key properties of (6-methyl-2-bicyclo[2.2.1]heptanyl) formate?
(6-methyl-2-bicyclo[2.2.1]heptanyl) formate has a molecular weight of 154.21 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-bicyclo[2.2.1]heptanyl) formate is sourced from PubChem (CID 87830815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).