[2-cyclohexyl-1-(methoxymethoxy)but-3-en-2-yl] propanoate

C15H26O4 — CID 10967584

IUPAC[2-cyclohexyl-1-(methoxymethoxy)but-3-en-2-yl] propanoate
SMILESC=CC(COCOC)(OC(=O)CC)C1CCCCC1
InChIInChI=1S/C15H26O4/c1-4-14(16)19-15(5-2,11-18-12-17-3)13-9-7-6-8-10-13/h5,13H,2,4,6-12H2,1,3H3
InChIKeyUYJOMELTARXKEH-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.07
Rot. Bonds8

About [2-cyclohexyl-1-(methoxymethoxy)but-3-en-2-yl] propanoate

[2-cyclohexyl-1-(methoxymethoxy)but-3-en-2-yl] propanoate (PubChem CID 10967584) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is [2-cyclohexyl-1-(methoxymethoxy)but-3-en-2-yl] propanoate.

Molecular Properties

Compound Name[2-cyclohexyl-1-(methoxymethoxy)but-3-en-2-yl] propanoate
PubChem CID10967584
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name[2-cyclohexyl-1-(methoxymethoxy)but-3-en-2-yl] propanoate
SMILESC=CC(COCOC)(OC(=O)CC)C1CCCCC1
InChIInChI=1S/C15H26O4/c1-4-14(16)19-15(5-2,11-18-12-17-3)13-9-7-6-8-10-13/h5,13H,2,4,6-12H2,1,3H3
InChIKeyUYJOMELTARXKEH-UHFFFAOYSA-N
XLogP3.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-cyclohexyl-1-(methoxymethoxy)but-3-en-2-yl] propanoate?
The IUPAC name of [2-cyclohexyl-1-(methoxymethoxy)but-3-en-2-yl] propanoate (CID 10967584) is [2-cyclohexyl-1-(methoxymethoxy)but-3-en-2-yl] propanoate.
What is the SMILES notation for [2-cyclohexyl-1-(methoxymethoxy)but-3-en-2-yl] propanoate?
The canonical SMILES for [2-cyclohexyl-1-(methoxymethoxy)but-3-en-2-yl] propanoate is C=CC(COCOC)(OC(=O)CC)C1CCCCC1.
What is the InChIKey of [2-cyclohexyl-1-(methoxymethoxy)but-3-en-2-yl] propanoate?
The InChIKey is UYJOMELTARXKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-4-14(16)19-15(5-2,11-18-12-17-3)13-9-7-6-8-10-13/h5,13H,2,4,6-12H2,1,3H3.
What are the key properties of [2-cyclohexyl-1-(methoxymethoxy)but-3-en-2-yl] propanoate?
[2-cyclohexyl-1-(methoxymethoxy)but-3-en-2-yl] propanoate has a molecular weight of 270.37 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclohexyl-1-(methoxymethoxy)but-3-en-2-yl] propanoate is sourced from PubChem (CID 10967584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).