propan-2-yl 3-(methoxymethoxy)pent-4-enoate

C10H18O4 — CID 16719805

IUPACpropan-2-yl 3-(methoxymethoxy)pent-4-enoate
SMILESC=CC(CC(=O)OC(C)C)OCOC
InChIInChI=1S/C10H18O4/c1-5-9(13-7-12-4)6-10(11)14-8(2)3/h5,8-9H,1,6-7H2,2-4H3
InChIKeyFQHMSSKZQHOCFA-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.50
Rot. Bonds7

About propan-2-yl 3-(methoxymethoxy)pent-4-enoate

propan-2-yl 3-(methoxymethoxy)pent-4-enoate (PubChem CID 16719805) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is propan-2-yl 3-(methoxymethoxy)pent-4-enoate.

Molecular Properties

Compound Namepropan-2-yl 3-(methoxymethoxy)pent-4-enoate
PubChem CID16719805
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namepropan-2-yl 3-(methoxymethoxy)pent-4-enoate
SMILESC=CC(CC(=O)OC(C)C)OCOC
InChIInChI=1S/C10H18O4/c1-5-9(13-7-12-4)6-10(11)14-8(2)3/h5,8-9H,1,6-7H2,2-4H3
InChIKeyFQHMSSKZQHOCFA-UHFFFAOYSA-N
XLogP1.50
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 propan-2-yl 3-(methoxymethoxy)pent-4-enoate?
The IUPAC name of propan-2-yl 3-(methoxymethoxy)pent-4-enoate (CID 16719805) is propan-2-yl 3-(methoxymethoxy)pent-4-enoate.
What is the SMILES notation for propan-2-yl 3-(methoxymethoxy)pent-4-enoate?
The canonical SMILES for propan-2-yl 3-(methoxymethoxy)pent-4-enoate is C=CC(CC(=O)OC(C)C)OCOC.
What is the InChIKey of propan-2-yl 3-(methoxymethoxy)pent-4-enoate?
The InChIKey is FQHMSSKZQHOCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-5-9(13-7-12-4)6-10(11)14-8(2)3/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of propan-2-yl 3-(methoxymethoxy)pent-4-enoate?
propan-2-yl 3-(methoxymethoxy)pent-4-enoate has a molecular weight of 202.25 g/mol, XLogP of 1.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(methoxymethoxy)pent-4-enoate is sourced from PubChem (CID 16719805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).