cyclopropylmethyl 2,2-dimethylpropanoate;[(1R)-1-cyclopropylpropyl] 2,2-dimethylpropanoate

C20H36O4 — CID 157339614

IUPACcyclopropylmethyl 2,2-dimethylpropanoate;[(1R)-1-cyclopropylpropyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC1CC1.CC[C@@H](OC(=O)C(C)(C)C)C1CC1
InChIInChI=1S/C11H20O2.C9H16O2/c1-5-9(8-6-7-8)13-10(12)11(2,3)4;1-9(2,3)8(10)11-6-7-4-5-7/h8-9H,5-7H2,1-4H3;7H,4-6H2,1-3H3/t9-;/m1./s1
InChIKeyBGFZXGGMKJPAOC-SBSPUUFOSA-N
MW340.50 g/mol
LogP4.75
Rot. Bonds5

About cyclopropylmethyl 2,2-dimethylpropanoate;[(1R)-1-cyclopropylpropyl] 2,2-dimethylpropanoate

cyclopropylmethyl 2,2-dimethylpropanoate;[(1R)-1-cyclopropylpropyl] 2,2-dimethylpropanoate (PubChem CID 157339614) has the molecular formula C20H36O4 and a molecular weight of 340.50 g/mol. Its IUPAC name is cyclopropylmethyl 2,2-dimethylpropanoate;[(1R)-1-cyclopropylpropyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Namecyclopropylmethyl 2,2-dimethylpropanoate;[(1R)-1-cyclopropylpropyl] 2,2-dimethylpropanoate
PubChem CID157339614
Molecular FormulaC20H36O4
Molecular Weight340.50 g/mol
Exact Mass340.26
IUPAC Namecyclopropylmethyl 2,2-dimethylpropanoate;[(1R)-1-cyclopropylpropyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC1CC1.CC[C@@H](OC(=O)C(C)(C)C)C1CC1
InChIInChI=1S/C11H20O2.C9H16O2/c1-5-9(8-6-7-8)13-10(12)11(2,3)4;1-9(2,3)8(10)11-6-7-4-5-7/h8-9H,5-7H2,1-4H3;7H,4-6H2,1-3H3/t9-;/m1./s1
InChIKeyBGFZXGGMKJPAOC-SBSPUUFOSA-N
XLogP4.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(hydroxymethyl)cyclohexyl]methyl 2,2-dimethylpropanoate
CID 15349892
cyclopropylmethyl 2-bromo-2-methylpropanoate
CID 134896391
(2-amino-1-piperidin-4-ylethyl) 2,2-dimethylpropanoate
CID 174587762
cyclopropylmethyl 3-amino-2,2-dimethylpropanoate
CID 115428189
(4-propylcyclohexyl)methyl 2-methylpropanoate
CID 175906302
cyclopentylmethyl 2-amino-2-methylpropanoate
CID 66321792
1,2-bis(4-aminocyclohexyl)ethyl acetate
CID 175320466
cyclopropylmethyl 3,4,4-trimethylpent-2-enoate
CID 123744189
pentan-3-yl 2,2-dimethylpropanoate
CID 58621886
2-methylbutyl 2,2-dimethylpropanoate
CID 20746726
cyclopropylmethyl 2-amino-3-methylpentanoate
CID 61150459
cyclopropylmethyl (2S)-2-aminopentanoate
CID 107565685

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2,2-dimethylpropanoate;[(1R)-1-cyclopropylpropyl] 2,2-dimethylpropanoate?
The IUPAC name of cyclopropylmethyl 2,2-dimethylpropanoate;[(1R)-1-cyclopropylpropyl] 2,2-dimethylpropanoate (CID 157339614) is cyclopropylmethyl 2,2-dimethylpropanoate;[(1R)-1-cyclopropylpropyl] 2,2-dimethylpropanoate.
What is the SMILES notation for cyclopropylmethyl 2,2-dimethylpropanoate;[(1R)-1-cyclopropylpropyl] 2,2-dimethylpropanoate?
The canonical SMILES for cyclopropylmethyl 2,2-dimethylpropanoate;[(1R)-1-cyclopropylpropyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCC1CC1.CC[C@@H](OC(=O)C(C)(C)C)C1CC1.
What is the InChIKey of cyclopropylmethyl 2,2-dimethylpropanoate;[(1R)-1-cyclopropylpropyl] 2,2-dimethylpropanoate?
The InChIKey is BGFZXGGMKJPAOC-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H20O2.C9H16O2/c1-5-9(8-6-7-8)13-10(12)11(2,3)4;1-9(2,3)8(10)11-6-7-4-5-7/h8-9H,5-7H2,1-4H3;7H,4-6H2,1-3H3/t9-;/m1./s1.
What are the key properties of cyclopropylmethyl 2,2-dimethylpropanoate;[(1R)-1-cyclopropylpropyl] 2,2-dimethylpropanoate?
cyclopropylmethyl 2,2-dimethylpropanoate;[(1R)-1-cyclopropylpropyl] 2,2-dimethylpropanoate has a molecular weight of 340.50 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2,2-dimethylpropanoate;[(1R)-1-cyclopropylpropyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 157339614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).