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

C12H20O3 — CID 135039074

IUPAC(2S,3R)-4-methoxy-3-(5-methoxypent-4-enyl)-2-methyl-2,3-dihydrofuran
SMILESCOC=CCCC[C@H]1C(OC)=CO[C@H]1C
InChIInChI=1S/C12H20O3/c1-10-11(12(14-3)9-15-10)7-5-4-6-8-13-2/h6,8-11H,4-5,7H2,1-3H3/t10-,11+/m0/s1
InChIKeyLCHIZWNNICPDCS-WDEREUQCSA-N
MW212.29 g/mol
LogP2.84
Rot. Bonds6

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

(2S,3R)-4-methoxy-3-(5-methoxypent-4-enyl)-2-methyl-2,3-dihydrofuran (PubChem CID 135039074) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (2S,3R)-4-methoxy-3-(5-methoxypent-4-enyl)-2-methyl-2,3-dihydrofuran.

Molecular Properties

Compound Name(2S,3R)-4-methoxy-3-(5-methoxypent-4-enyl)-2-methyl-2,3-dihydrofuran
PubChem CID135039074
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(2S,3R)-4-methoxy-3-(5-methoxypent-4-enyl)-2-methyl-2,3-dihydrofuran
SMILESCOC=CCCC[C@H]1C(OC)=CO[C@H]1C
InChIInChI=1S/C12H20O3/c1-10-11(12(14-3)9-15-10)7-5-4-6-8-13-2/h6,8-11H,4-5,7H2,1-3H3/t10-,11+/m0/s1
InChIKeyLCHIZWNNICPDCS-WDEREUQCSA-N
XLogP2.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-methoxy-3-(5-methoxypent-4-enyl)-2-methyl-2,3-dihydrofuran?
The IUPAC name of (2S,3R)-4-methoxy-3-(5-methoxypent-4-enyl)-2-methyl-2,3-dihydrofuran (CID 135039074) is (2S,3R)-4-methoxy-3-(5-methoxypent-4-enyl)-2-methyl-2,3-dihydrofuran.
What is the SMILES notation for (2S,3R)-4-methoxy-3-(5-methoxypent-4-enyl)-2-methyl-2,3-dihydrofuran?
The canonical SMILES for (2S,3R)-4-methoxy-3-(5-methoxypent-4-enyl)-2-methyl-2,3-dihydrofuran is COC=CCCC[C@H]1C(OC)=CO[C@H]1C.
What is the InChIKey of (2S,3R)-4-methoxy-3-(5-methoxypent-4-enyl)-2-methyl-2,3-dihydrofuran?
The InChIKey is LCHIZWNNICPDCS-WDEREUQCSA-N. The full InChI is InChI=1S/C12H20O3/c1-10-11(12(14-3)9-15-10)7-5-4-6-8-13-2/h6,8-11H,4-5,7H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of (2S,3R)-4-methoxy-3-(5-methoxypent-4-enyl)-2-methyl-2,3-dihydrofuran?
(2S,3R)-4-methoxy-3-(5-methoxypent-4-enyl)-2-methyl-2,3-dihydrofuran has a molecular weight of 212.29 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-methoxy-3-(5-methoxypent-4-enyl)-2-methyl-2,3-dihydrofuran is sourced from PubChem (CID 135039074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).