(4S)-4-(1-ethoxy-2-methylprop-2-enoxy)-5-(methoxymethoxy)pent-1-ene

C13H24O4 — CID 13006468

IUPAC(4S)-4-(1-ethoxy-2-methylprop-2-enoxy)-5-(methoxymethoxy)pent-1-ene
SMILESC=CC[C@@H](COCOC)OC(OCC)C(=C)C
InChIInChI=1S/C13H24O4/c1-6-8-12(9-15-10-14-5)17-13(11(3)4)16-7-2/h6,12-13H,1,3,7-10H2,2,4-5H3/t12-,13?/m0/s1
InChIKeyUEXGLNFPSPZXSF-UEWDXFNNSA-N
MW244.33 g/mol
LogP2.51
Rot. Bonds11

About (4S)-4-(1-ethoxy-2-methylprop-2-enoxy)-5-(methoxymethoxy)pent-1-ene

(4S)-4-(1-ethoxy-2-methylprop-2-enoxy)-5-(methoxymethoxy)pent-1-ene (PubChem CID 13006468) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is (4S)-4-(1-ethoxy-2-methylprop-2-enoxy)-5-(methoxymethoxy)pent-1-ene.

Molecular Properties

Compound Name(4S)-4-(1-ethoxy-2-methylprop-2-enoxy)-5-(methoxymethoxy)pent-1-ene
PubChem CID13006468
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name(4S)-4-(1-ethoxy-2-methylprop-2-enoxy)-5-(methoxymethoxy)pent-1-ene
SMILESC=CC[C@@H](COCOC)OC(OCC)C(=C)C
InChIInChI=1S/C13H24O4/c1-6-8-12(9-15-10-14-5)17-13(11(3)4)16-7-2/h6,12-13H,1,3,7-10H2,2,4-5H3/t12-,13?/m0/s1
InChIKeyUEXGLNFPSPZXSF-UEWDXFNNSA-N
XLogP2.51
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.51
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'}

Analyze (4S)-4-(1-ethoxy-2-methylprop-2-enoxy)-5-(methoxymethoxy)pent-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1-ethoxy-2-methylprop-2-enoxy)-5-(methoxymethoxy)pent-1-ene?
The IUPAC name of (4S)-4-(1-ethoxy-2-methylprop-2-enoxy)-5-(methoxymethoxy)pent-1-ene (CID 13006468) is (4S)-4-(1-ethoxy-2-methylprop-2-enoxy)-5-(methoxymethoxy)pent-1-ene.
What is the SMILES notation for (4S)-4-(1-ethoxy-2-methylprop-2-enoxy)-5-(methoxymethoxy)pent-1-ene?
The canonical SMILES for (4S)-4-(1-ethoxy-2-methylprop-2-enoxy)-5-(methoxymethoxy)pent-1-ene is C=CC[C@@H](COCOC)OC(OCC)C(=C)C.
What is the InChIKey of (4S)-4-(1-ethoxy-2-methylprop-2-enoxy)-5-(methoxymethoxy)pent-1-ene?
The InChIKey is UEXGLNFPSPZXSF-UEWDXFNNSA-N. The full InChI is InChI=1S/C13H24O4/c1-6-8-12(9-15-10-14-5)17-13(11(3)4)16-7-2/h6,12-13H,1,3,7-10H2,2,4-5H3/t12-,13?/m0/s1.
What are the key properties of (4S)-4-(1-ethoxy-2-methylprop-2-enoxy)-5-(methoxymethoxy)pent-1-ene?
(4S)-4-(1-ethoxy-2-methylprop-2-enoxy)-5-(methoxymethoxy)pent-1-ene has a molecular weight of 244.33 g/mol, XLogP of 2.51, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1-ethoxy-2-methylprop-2-enoxy)-5-(methoxymethoxy)pent-1-ene is sourced from PubChem (CID 13006468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).