methyl 2-(1-propylcyclopropyl)acetate

C9H16O2 — CID 123587364

IUPACmethyl 2-(1-propylcyclopropyl)acetate
SMILESCCCC1(CC(=O)OC)CC1
InChIInChI=1S/C9H16O2/c1-3-4-9(5-6-9)7-8(10)11-2/h3-7H2,1-2H3
InChIKeyRULXRSKYMXLXLN-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.13
Rot. Bonds4

About methyl 2-(1-propylcyclopropyl)acetate

methyl 2-(1-propylcyclopropyl)acetate (PubChem CID 123587364) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is methyl 2-(1-propylcyclopropyl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-propylcyclopropyl)acetate
PubChem CID123587364
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namemethyl 2-(1-propylcyclopropyl)acetate
SMILESCCCC1(CC(=O)OC)CC1
InChIInChI=1S/C9H16O2/c1-3-4-9(5-6-9)7-8(10)11-2/h3-7H2,1-2H3
InChIKeyRULXRSKYMXLXLN-UHFFFAOYSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl 2-ethylhexanoate
CID 102491
Ethyl 3,5,5-trimethylhexanoate
CID 3017783
Neodecanoic acid, potassium salt (1:1)
CID 23686661
Methyl 4-methylhexanoate
CID 519893
Methyl 2-methyl-2-propylpentanoate
CID 528155
Magnesium neodecanoate
CID 93673
Methyl 2,2,3,3-tetramethylcyclopropanecarboxylate
CID 538202
Methyl 3,5,5-trimethylhexanoate
CID 13301941
Hexanoic acid, 2-methyl-, methyl ester
CID 519892
Hexanoic acid, 2-ethyl-2-methyl-, sodium salt
CID 23681172
Ethyl 5,5-dimethylhexanoate
CID 15760605
Methyl 3-(1-methylcyclopropyl)-3-oxopropanoate
CID 317060

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-propylcyclopropyl)acetate?
The IUPAC name of methyl 2-(1-propylcyclopropyl)acetate (CID 123587364) is methyl 2-(1-propylcyclopropyl)acetate.
What is the SMILES notation for methyl 2-(1-propylcyclopropyl)acetate?
The canonical SMILES for methyl 2-(1-propylcyclopropyl)acetate is CCCC1(CC(=O)OC)CC1.
What is the InChIKey of methyl 2-(1-propylcyclopropyl)acetate?
The InChIKey is RULXRSKYMXLXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-4-9(5-6-9)7-8(10)11-2/h3-7H2,1-2H3.
What are the key properties of methyl 2-(1-propylcyclopropyl)acetate?
methyl 2-(1-propylcyclopropyl)acetate has a molecular weight of 156.22 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-propylcyclopropyl)acetate is sourced from PubChem (CID 123587364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).