oxolan-2-yl 5-propan-2-ylbicyclo[2.2.1]heptane-2-carboxylate

C15H24O3 — CID 20698005

IUPACoxolan-2-yl 5-propan-2-ylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCC(C)C1CC2CC1CC2C(=O)OC1CCCO1
InChIInChI=1S/C15H24O3/c1-9(2)12-7-11-6-10(12)8-13(11)15(16)18-14-4-3-5-17-14/h9-14H,3-8H2,1-2H3
InChIKeyGSLRPNJHCORHAD-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.98
Rot. Bonds3

About oxolan-2-yl 5-propan-2-ylbicyclo[2.2.1]heptane-2-carboxylate

oxolan-2-yl 5-propan-2-ylbicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 20698005) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is oxolan-2-yl 5-propan-2-ylbicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Nameoxolan-2-yl 5-propan-2-ylbicyclo[2.2.1]heptane-2-carboxylate
PubChem CID20698005
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Nameoxolan-2-yl 5-propan-2-ylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCC(C)C1CC2CC1CC2C(=O)OC1CCCO1
InChIInChI=1S/C15H24O3/c1-9(2)12-7-11-6-10(12)8-13(11)15(16)18-14-4-3-5-17-14/h9-14H,3-8H2,1-2H3
InChIKeyGSLRPNJHCORHAD-UHFFFAOYSA-N
XLogP2.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze oxolan-2-yl 5-propan-2-ylbicyclo[2.2.1]heptane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl bicyclo[2.2.1]hept-2-ylacetate
CID 15312317
Ethyl bicyclo(2.2.1)heptane-2-carboxylate
CID 108540
Ethyl 2,5-endomethylenecyclohexanecarboxylate
CID 21118411
4,7-Methano-1H-indene-5-carboxylic acid, octahydro-, ethyl ester
CID 109171
3-[6-[2-(Ethoxymethoxy)-2-fluoropropyl]-3-methyl-2-bicyclo[2.2.1]heptanyl]-4-methyloxolane-2,5-dione
CID 21362173
1-Ethoxyethyl 5,6-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate
CID 58823497
[4,4-Difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-2-yl] bicyclo[2.2.1]heptane-2-carboxylate
CID 140070550
ethyl 2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 134979254
Ethyl 5-methylbicyclo[2.2.1]heptane-2-carboxylate
CID 44144856
7-Dimethoxymethylbicyclo[2.2.1]heptane-1-carboxylic acid, methyl ester
CID 554827
3-(1,3-Dioxolan-2-ylmethyl)bicyclo[2.2.1]heptan-2-one
CID 85279921
Ethyl 3-(diethoxymethyl)bicyclo[2.2.1]heptane-2-carboxylate
CID 12800684

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl 5-propan-2-ylbicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of oxolan-2-yl 5-propan-2-ylbicyclo[2.2.1]heptane-2-carboxylate (CID 20698005) is oxolan-2-yl 5-propan-2-ylbicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for oxolan-2-yl 5-propan-2-ylbicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for oxolan-2-yl 5-propan-2-ylbicyclo[2.2.1]heptane-2-carboxylate is CC(C)C1CC2CC1CC2C(=O)OC1CCCO1.
What is the InChIKey of oxolan-2-yl 5-propan-2-ylbicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is GSLRPNJHCORHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-9(2)12-7-11-6-10(12)8-13(11)15(16)18-14-4-3-5-17-14/h9-14H,3-8H2,1-2H3.
What are the key properties of oxolan-2-yl 5-propan-2-ylbicyclo[2.2.1]heptane-2-carboxylate?
oxolan-2-yl 5-propan-2-ylbicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 252.35 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl 5-propan-2-ylbicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 20698005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).