2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl formate

C11H18O2 — CID 126747382

IUPAC2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl formate
SMILESCC(C)(OC=O)C1CC2CCC1C2
InChIInChI=1S/C11H18O2/c1-11(2,13-7-12)10-6-8-3-4-9(10)5-8/h7-10H,3-6H2,1-2H3
InChIKeyGSOOWXRMDGYDCS-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.37
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl formate

2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl formate (PubChem CID 126747382) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl formate.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl formate
PubChem CID126747382
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl formate
SMILESCC(C)(OC=O)C1CC2CCC1C2
InChIInChI=1S/C11H18O2/c1-11(2,13-7-12)10-6-8-3-4-9(10)5-8/h7-10H,3-6H2,1-2H3
InChIKeyGSOOWXRMDGYDCS-UHFFFAOYSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2-methylpropanoate;ethane
CID 123922780
2-(1,1-difluoroethyl)bicyclo[2.2.1]heptane
CID 68641749
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl] formate
CID 98108160
2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl piperidine-1-carboxylate
CID 170530193
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylpropan-2-amine
CID 154963024
2-(1,1,1-trifluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane
CID 118360310
[3-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2,3-dioxopropyl] 2-methylprop-2-enoate
CID 118503786
1-(2-bicyclo[2.2.1]heptanyl)-1-fluoroethanesulfonic acid
CID 123733478
2-(2-bicyclo[2.2.1]heptanyl)-2-methoxypropan-1-amine
CID 130609836
2-tert-butylbicyclo[3.2.1]octane
CID 21352041
2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol
CID 58958840
[1-(2-bicyclo[2.2.1]heptanyl)-1-iodopropyl] acetate
CID 89484464

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl formate?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl formate (CID 126747382) is 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl formate.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl formate?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl formate is CC(C)(OC=O)C1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl formate?
The InChIKey is GSOOWXRMDGYDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-11(2,13-7-12)10-6-8-3-4-9(10)5-8/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl formate?
2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl formate has a molecular weight of 182.26 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl formate is sourced from PubChem (CID 126747382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).