(5S)-2,3-dimethoxy-4-(5-methoxypent-4-enyl)-5-methyl-2,5-dihydrofuran

C13H22O4 — CID 135015993

IUPAC(5S)-2,3-dimethoxy-4-(5-methoxypent-4-enyl)-5-methyl-2,5-dihydrofuran
SMILESCOC=CCCCC1=C(OC)C(OC)O[C@H]1C
InChIInChI=1S/C13H22O4/c1-10-11(8-6-5-7-9-14-2)12(15-3)13(16-4)17-10/h7,9-10,13H,5-6,8H2,1-4H3/t10-,13?/m0/s1
InChIKeyZFXLZIVJOKNVFW-NKUHCKNESA-N
MW242.31 g/mol
LogP2.61
Rot. Bonds7

About (5S)-2,3-dimethoxy-4-(5-methoxypent-4-enyl)-5-methyl-2,5-dihydrofuran

(5S)-2,3-dimethoxy-4-(5-methoxypent-4-enyl)-5-methyl-2,5-dihydrofuran (PubChem CID 135015993) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is (5S)-2,3-dimethoxy-4-(5-methoxypent-4-enyl)-5-methyl-2,5-dihydrofuran.

Molecular Properties

Compound Name(5S)-2,3-dimethoxy-4-(5-methoxypent-4-enyl)-5-methyl-2,5-dihydrofuran
PubChem CID135015993
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name(5S)-2,3-dimethoxy-4-(5-methoxypent-4-enyl)-5-methyl-2,5-dihydrofuran
SMILESCOC=CCCCC1=C(OC)C(OC)O[C@H]1C
InChIInChI=1S/C13H22O4/c1-10-11(8-6-5-7-9-14-2)12(15-3)13(16-4)17-10/h7,9-10,13H,5-6,8H2,1-4H3/t10-,13?/m0/s1
InChIKeyZFXLZIVJOKNVFW-NKUHCKNESA-N
XLogP2.61
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (5S)-2,3-dimethoxy-4-(5-methoxypent-4-enyl)-5-methyl-2,5-dihydrofuran with MolForge

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

Launch Full Analysis

Related Compounds

(3E)-5-ethoxy-2-ethyl-3-heptylideneoxolane
CID 13973915
3-(Methoxymethoxy)-2-undecyl-2,5-dihydrofuran
CID 102055857
2-(Hept-2-en-3-yl)-3-[(prop-2-en-1-yl)oxy]oxirane
CID 133064835
2,4,5-trimethoxy-5-undecyl-2H-furan
CID 134836299
5-Hydroperoxy-3-methoxy-2-undecyl-2,5-dihydrofuran
CID 134836323
(4R,6aS)-2,3-dimethoxy-4-(4-methoxybut-3-enyl)-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan
CID 135015793
6-Butyl-2-methoxy-1,7,10-trioxaspiro[4.5]dec-3-ene
CID 162408425
5-hexyl-2,4,5-trimethoxy-2H-furan
CID 11368546
(2R,6R)-5,6-diethoxy-2-hexyl-3,6-dihydro-2H-pyran
CID 44605098
(2S,6R)-5,6-diethoxy-2-hexyl-3,6-dihydro-2H-pyran
CID 44606206
5-[1'-Ethoxyethoxy]-4-methyl-3-decene
CID 54052664
2-[(E)-but-2-en-2-yl]-4-[[(Z)-docos-13-enoxy]methyl]-1,3-dioxolane
CID 121451578

Frequently Asked Questions

What is the IUPAC name of (5S)-2,3-dimethoxy-4-(5-methoxypent-4-enyl)-5-methyl-2,5-dihydrofuran?
The IUPAC name of (5S)-2,3-dimethoxy-4-(5-methoxypent-4-enyl)-5-methyl-2,5-dihydrofuran (CID 135015993) is (5S)-2,3-dimethoxy-4-(5-methoxypent-4-enyl)-5-methyl-2,5-dihydrofuran.
What is the SMILES notation for (5S)-2,3-dimethoxy-4-(5-methoxypent-4-enyl)-5-methyl-2,5-dihydrofuran?
The canonical SMILES for (5S)-2,3-dimethoxy-4-(5-methoxypent-4-enyl)-5-methyl-2,5-dihydrofuran is COC=CCCCC1=C(OC)C(OC)O[C@H]1C.
What is the InChIKey of (5S)-2,3-dimethoxy-4-(5-methoxypent-4-enyl)-5-methyl-2,5-dihydrofuran?
The InChIKey is ZFXLZIVJOKNVFW-NKUHCKNESA-N. The full InChI is InChI=1S/C13H22O4/c1-10-11(8-6-5-7-9-14-2)12(15-3)13(16-4)17-10/h7,9-10,13H,5-6,8H2,1-4H3/t10-,13?/m0/s1.
What are the key properties of (5S)-2,3-dimethoxy-4-(5-methoxypent-4-enyl)-5-methyl-2,5-dihydrofuran?
(5S)-2,3-dimethoxy-4-(5-methoxypent-4-enyl)-5-methyl-2,5-dihydrofuran has a molecular weight of 242.31 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,3-dimethoxy-4-(5-methoxypent-4-enyl)-5-methyl-2,5-dihydrofuran is sourced from PubChem (CID 135015993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).