cyclopropylmethyl 2-methoxy-3-methylbutanoate

C10H18O3 — CID 156662867

IUPACcyclopropylmethyl 2-methoxy-3-methylbutanoate
SMILESCOC(C(=O)OCC1CC1)C(C)C
InChIInChI=1S/C10H18O3/c1-7(2)9(12-3)10(11)13-6-8-4-5-8/h7-9H,4-6H2,1-3H3
InChIKeyAGQKBOANCCEDSA-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.61
Rot. Bonds5

About cyclopropylmethyl 2-methoxy-3-methylbutanoate

cyclopropylmethyl 2-methoxy-3-methylbutanoate (PubChem CID 156662867) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is cyclopropylmethyl 2-methoxy-3-methylbutanoate.

Molecular Properties

Compound Namecyclopropylmethyl 2-methoxy-3-methylbutanoate
PubChem CID156662867
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namecyclopropylmethyl 2-methoxy-3-methylbutanoate
SMILESCOC(C(=O)OCC1CC1)C(C)C
InChIInChI=1S/C10H18O3/c1-7(2)9(12-3)10(11)13-6-8-4-5-8/h7-9H,4-6H2,1-3H3
InChIKeyAGQKBOANCCEDSA-UHFFFAOYSA-N
XLogP1.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropylmethyl 2-sulfanylpropanoate
CID 107018198
cyclopropylmethyl methyl carbonate
CID 54535586
bis(cyclopentylmethyl) 2-methylpropanedioate
CID 174545990
cyclopentylmethyl 2-methylpropanoate
CID 21063892
cyclopropylmethyl 4-amino-2-methylbutanoate
CID 80540087
cyclopropylmethyl 2-amino-3-methylpentanoate
CID 61150459
1-O-(cyclopentylmethyl) 3-O-methyl 2-methylpropanedioate
CID 174748990
(4-propylcyclohexyl)methyl 2-methylpropanoate
CID 175906302
cyclohexylmethyl 2-amino-3-methylbutanoate
CID 62383261
cyclopentylmethyl 2-amino-3,3-dimethylbutanoate
CID 66321580
cyclopropylmethyl acetate
CID 538333
cyclopropylmethyl 2-methylhexanoate
CID 67151240

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2-methoxy-3-methylbutanoate?
The IUPAC name of cyclopropylmethyl 2-methoxy-3-methylbutanoate (CID 156662867) is cyclopropylmethyl 2-methoxy-3-methylbutanoate.
What is the SMILES notation for cyclopropylmethyl 2-methoxy-3-methylbutanoate?
The canonical SMILES for cyclopropylmethyl 2-methoxy-3-methylbutanoate is COC(C(=O)OCC1CC1)C(C)C.
What is the InChIKey of cyclopropylmethyl 2-methoxy-3-methylbutanoate?
The InChIKey is AGQKBOANCCEDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7(2)9(12-3)10(11)13-6-8-4-5-8/h7-9H,4-6H2,1-3H3.
What are the key properties of cyclopropylmethyl 2-methoxy-3-methylbutanoate?
cyclopropylmethyl 2-methoxy-3-methylbutanoate has a molecular weight of 186.25 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2-methoxy-3-methylbutanoate is sourced from PubChem (CID 156662867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).