(2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2,3,3-trimethyl-2-(1,2,2-trimethylcyclopropyl)butanoate

C23H36O4 — CID 123463732

IUPAC(2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2,3,3-trimethyl-2-(1,2,2-trimethylcyclopropyl)butanoate
SMILESCC(C)(C)C(C)(C(=O)OC1CC2CC1CC21CCOC1=O)C1(C)CC1(C)C
InChIInChI=1S/C23H36O4/c1-19(2,3)22(7,21(6)13-20(21,4)5)17(24)27-16-11-15-10-14(16)12-23(15)8-9-26-18(23)25/h14-16H,8-13H2,1-7H3
InChIKeyPSCPWUOIWNGKFZ-UHFFFAOYSA-N
MW376.54 g/mol
LogP4.75
Rot. Bonds3

About (2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2,3,3-trimethyl-2-(1,2,2-trimethylcyclopropyl)butanoate

(2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2,3,3-trimethyl-2-(1,2,2-trimethylcyclopropyl)butanoate (PubChem CID 123463732) has the molecular formula C23H36O4 and a molecular weight of 376.54 g/mol. Its IUPAC name is (2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2,3,3-trimethyl-2-(1,2,2-trimethylcyclopropyl)butanoate.

Molecular Properties

Compound Name(2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2,3,3-trimethyl-2-(1,2,2-trimethylcyclopropyl)butanoate
PubChem CID123463732
Molecular FormulaC23H36O4
Molecular Weight376.54 g/mol
Exact Mass376.26
IUPAC Name(2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2,3,3-trimethyl-2-(1,2,2-trimethylcyclopropyl)butanoate
SMILESCC(C)(C)C(C)(C(=O)OC1CC2CC1CC21CCOC1=O)C1(C)CC1(C)C
InChIInChI=1S/C23H36O4/c1-19(2,3)22(7,21(6)13-20(21,4)5)17(24)27-16-11-15-10-14(16)12-23(15)8-9-26-18(23)25/h14-16H,8-13H2,1-7H3
InChIKeyPSCPWUOIWNGKFZ-UHFFFAOYSA-N
XLogP4.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2,3,3-trimethyl-2-(1,2,2-trimethylcyclopropyl)butanoate with MolForge

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Related Compounds

(2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2,2-dimethyl-3-(methylamino)butanoate
CID 163415315
(2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) prop-2-enoate
CID 20731202
(2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2-(2,4-diazabicyclo[1.1.0]butan-1-yl)-2-iodoacetate
CID 163515401
(2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-6,4'-oxolane]-2-yl) 2,2-dimethylbutanoate
CID 158840442
CID 154594600
CID 154594600
methyl 2,2-dimethylbutanoate;spiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one
CID 91418820
5-triethoxysilylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one
CID 140788501
(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-6,4'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-3,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-3,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate
CID 157067890
spiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl 2,2-dimethylbutanoate
CID 70938272
(9-hydroxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-bicyclo[2.2.1]heptane]-2'-yl) 2,2-difluoropropanoate
CID 130374803
(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-6,4'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-3,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate
CID 158980887
[(3aR,5R,6R,7aS)-7a-methyl-1-oxo-6-(2,2,2-trifluoroacetyl)oxy-3,3a,4,5,6,7-hexahydro-2-benzofuran-5-yl] 2,2,2-trifluoroacetate
CID 23240056

Frequently Asked Questions

What is the IUPAC name of (2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2,3,3-trimethyl-2-(1,2,2-trimethylcyclopropyl)butanoate?
The IUPAC name of (2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2,3,3-trimethyl-2-(1,2,2-trimethylcyclopropyl)butanoate (CID 123463732) is (2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2,3,3-trimethyl-2-(1,2,2-trimethylcyclopropyl)butanoate.
What is the SMILES notation for (2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2,3,3-trimethyl-2-(1,2,2-trimethylcyclopropyl)butanoate?
The canonical SMILES for (2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2,3,3-trimethyl-2-(1,2,2-trimethylcyclopropyl)butanoate is CC(C)(C)C(C)(C(=O)OC1CC2CC1CC21CCOC1=O)C1(C)CC1(C)C.
What is the InChIKey of (2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2,3,3-trimethyl-2-(1,2,2-trimethylcyclopropyl)butanoate?
The InChIKey is PSCPWUOIWNGKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O4/c1-19(2,3)22(7,21(6)13-20(21,4)5)17(24)27-16-11-15-10-14(16)12-23(15)8-9-26-18(23)25/h14-16H,8-13H2,1-7H3.
What are the key properties of (2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2,3,3-trimethyl-2-(1,2,2-trimethylcyclopropyl)butanoate?
(2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2,3,3-trimethyl-2-(1,2,2-trimethylcyclopropyl)butanoate has a molecular weight of 376.54 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2,3,3-trimethyl-2-(1,2,2-trimethylcyclopropyl)butanoate is sourced from PubChem (CID 123463732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).