methyl 4-(cyclopropylmethoxy)butanoate

C9H16O3 — CID 43378160

IUPACmethyl 4-(cyclopropylmethoxy)butanoate
SMILESCOC(=O)CCCOCC1CC1
InChIInChI=1S/C9H16O3/c1-11-9(10)3-2-6-12-7-8-4-5-8/h8H,2-7H2,1H3
InChIKeySXMJQFADEXMXFP-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.37
Rot. Bonds6

About methyl 4-(cyclopropylmethoxy)butanoate

methyl 4-(cyclopropylmethoxy)butanoate (PubChem CID 43378160) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is methyl 4-(cyclopropylmethoxy)butanoate.

Molecular Properties

Compound Namemethyl 4-(cyclopropylmethoxy)butanoate
PubChem CID43378160
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Namemethyl 4-(cyclopropylmethoxy)butanoate
SMILESCOC(=O)CCCOCC1CC1
InChIInChI=1S/C9H16O3/c1-11-9(10)3-2-6-12-7-8-4-5-8/h8H,2-7H2,1H3
InChIKeySXMJQFADEXMXFP-UHFFFAOYSA-N
XLogP1.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-(cyclopropylmethoxy)ethyl-methylamino]acetate
CID 79006432
methyl 5-[[N'-[3-(cyclopropylmethoxy)propyl]-N-ethylcarbamimidoyl]amino]pentanoate;hydroiodide
CID 111391910
dimethyl hexanedioate;stannane
CID 173290076
methyl 3-(2-cyclopropylethoxy)propanoate
CID 106199265
methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butanoate
CID 10586756
methyl 4-methoxybutanoate
CID 542317
ethyl 4-(piperidin-4-ylmethoxy)butanoate
CID 71077908
methyl 4-(2-pyrrolidin-3-ylethoxy)butanoate
CID 106940991
methyl 4-[2-(methylamino)ethoxy]butanoate
CID 82353174
methyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470261
methyl 4-heptoxybutanoate
CID 43378175
N-[3-(cyclopropylmethoxy)propyl]-2-methoxypropanamide
CID 115588529

Frequently Asked Questions

What is the IUPAC name of methyl 4-(cyclopropylmethoxy)butanoate?
The IUPAC name of methyl 4-(cyclopropylmethoxy)butanoate (CID 43378160) is methyl 4-(cyclopropylmethoxy)butanoate.
What is the SMILES notation for methyl 4-(cyclopropylmethoxy)butanoate?
The canonical SMILES for methyl 4-(cyclopropylmethoxy)butanoate is COC(=O)CCCOCC1CC1.
What is the InChIKey of methyl 4-(cyclopropylmethoxy)butanoate?
The InChIKey is SXMJQFADEXMXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-11-9(10)3-2-6-12-7-8-4-5-8/h8H,2-7H2,1H3.
What are the key properties of methyl 4-(cyclopropylmethoxy)butanoate?
methyl 4-(cyclopropylmethoxy)butanoate has a molecular weight of 172.22 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cyclopropylmethoxy)butanoate is sourced from PubChem (CID 43378160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).