dicyclopropylmethyl 3-methylbutanoate

C12H20O2 — CID 58845712

IUPACdicyclopropylmethyl 3-methylbutanoate
SMILESCC(C)CC(=O)OC(C1CC1)C1CC1
InChIInChI=1S/C12H20O2/c1-8(2)7-11(13)14-12(9-3-4-9)10-5-6-10/h8-10,12H,3-7H2,1-2H3
InChIKeyDRMXUIMNMMYWGZ-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.76
Rot. Bonds5

About dicyclopropylmethyl 3-methylbutanoate

dicyclopropylmethyl 3-methylbutanoate (PubChem CID 58845712) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is dicyclopropylmethyl 3-methylbutanoate.

Molecular Properties

Compound Namedicyclopropylmethyl 3-methylbutanoate
PubChem CID58845712
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Namedicyclopropylmethyl 3-methylbutanoate
SMILESCC(C)CC(=O)OC(C1CC1)C1CC1
InChIInChI=1S/C12H20O2/c1-8(2)7-11(13)14-12(9-3-4-9)10-5-6-10/h8-10,12H,3-7H2,1-2H3
InChIKeyDRMXUIMNMMYWGZ-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dicyclopropylmethyl 3-methylbutanoate?
The IUPAC name of dicyclopropylmethyl 3-methylbutanoate (CID 58845712) is dicyclopropylmethyl 3-methylbutanoate.
What is the SMILES notation for dicyclopropylmethyl 3-methylbutanoate?
The canonical SMILES for dicyclopropylmethyl 3-methylbutanoate is CC(C)CC(=O)OC(C1CC1)C1CC1.
What is the InChIKey of dicyclopropylmethyl 3-methylbutanoate?
The InChIKey is DRMXUIMNMMYWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-8(2)7-11(13)14-12(9-3-4-9)10-5-6-10/h8-10,12H,3-7H2,1-2H3.
What are the key properties of dicyclopropylmethyl 3-methylbutanoate?
dicyclopropylmethyl 3-methylbutanoate has a molecular weight of 196.29 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclopropylmethyl 3-methylbutanoate is sourced from PubChem (CID 58845712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).