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

C12H20O2 — CID 135039125

IUPAC(2S,3S)-3-(5-methoxypent-4-enyl)-2,4-dimethyl-2,3-dihydrofuran
SMILESCOC=CCCC[C@H]1C(C)=CO[C@H]1C
InChIInChI=1S/C12H20O2/c1-10-9-14-11(2)12(10)7-5-4-6-8-13-3/h6,8-9,11-12H,4-5,7H2,1-3H3/t11-,12-/m0/s1
InChIKeyUFVPCVWRYJHHBA-RYUDHWBXSA-N
MW196.29 g/mol
LogP3.26
Rot. Bonds5

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

(2S,3S)-3-(5-methoxypent-4-enyl)-2,4-dimethyl-2,3-dihydrofuran (PubChem CID 135039125) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (2S,3S)-3-(5-methoxypent-4-enyl)-2,4-dimethyl-2,3-dihydrofuran.

Molecular Properties

Compound Name(2S,3S)-3-(5-methoxypent-4-enyl)-2,4-dimethyl-2,3-dihydrofuran
PubChem CID135039125
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(2S,3S)-3-(5-methoxypent-4-enyl)-2,4-dimethyl-2,3-dihydrofuran
SMILESCOC=CCCC[C@H]1C(C)=CO[C@H]1C
InChIInChI=1S/C12H20O2/c1-10-9-14-11(2)12(10)7-5-4-6-8-13-3/h6,8-9,11-12H,4-5,7H2,1-3H3/t11-,12-/m0/s1
InChIKeyUFVPCVWRYJHHBA-RYUDHWBXSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,3S)-3-(5-methoxypent-4-enyl)-2,4-dimethyl-2,3-dihydrofuran?
The IUPAC name of (2S,3S)-3-(5-methoxypent-4-enyl)-2,4-dimethyl-2,3-dihydrofuran (CID 135039125) is (2S,3S)-3-(5-methoxypent-4-enyl)-2,4-dimethyl-2,3-dihydrofuran.
What is the SMILES notation for (2S,3S)-3-(5-methoxypent-4-enyl)-2,4-dimethyl-2,3-dihydrofuran?
The canonical SMILES for (2S,3S)-3-(5-methoxypent-4-enyl)-2,4-dimethyl-2,3-dihydrofuran is COC=CCCC[C@H]1C(C)=CO[C@H]1C.
What is the InChIKey of (2S,3S)-3-(5-methoxypent-4-enyl)-2,4-dimethyl-2,3-dihydrofuran?
The InChIKey is UFVPCVWRYJHHBA-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H20O2/c1-10-9-14-11(2)12(10)7-5-4-6-8-13-3/h6,8-9,11-12H,4-5,7H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of (2S,3S)-3-(5-methoxypent-4-enyl)-2,4-dimethyl-2,3-dihydrofuran?
(2S,3S)-3-(5-methoxypent-4-enyl)-2,4-dimethyl-2,3-dihydrofuran has a molecular weight of 196.29 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(5-methoxypent-4-enyl)-2,4-dimethyl-2,3-dihydrofuran is sourced from PubChem (CID 135039125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).