(2S)-2-[(2S)-but-3-en-2-yl]-5-methoxy-2,3-dihydropyran-6-one

C10H14O3 — CID 88976123

IUPAC(2S)-2-[(2S)-but-3-en-2-yl]-5-methoxy-2,3-dihydropyran-6-one
SMILESC=C[C@H](C)[C@@H]1CC=C(OC)C(=O)O1
InChIInChI=1S/C10H14O3/c1-4-7(2)8-5-6-9(12-3)10(11)13-8/h4,6-8H,1,5H2,2-3H3/t7-,8-/m0/s1
InChIKeyVVJAUQGCTZVAMM-YUMQZZPRSA-N
MW182.22 g/mol
LogP1.65
Rot. Bonds3

About (2S)-2-[(2S)-but-3-en-2-yl]-5-methoxy-2,3-dihydropyran-6-one

(2S)-2-[(2S)-but-3-en-2-yl]-5-methoxy-2,3-dihydropyran-6-one (PubChem CID 88976123) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2S)-2-[(2S)-but-3-en-2-yl]-5-methoxy-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S)-2-[(2S)-but-3-en-2-yl]-5-methoxy-2,3-dihydropyran-6-one
PubChem CID88976123
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(2S)-2-[(2S)-but-3-en-2-yl]-5-methoxy-2,3-dihydropyran-6-one
SMILESC=C[C@H](C)[C@@H]1CC=C(OC)C(=O)O1
InChIInChI=1S/C10H14O3/c1-4-7(2)8-5-6-9(12-3)10(11)13-8/h4,6-8H,1,5H2,2-3H3/t7-,8-/m0/s1
InChIKeyVVJAUQGCTZVAMM-YUMQZZPRSA-N
XLogP1.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-but-3-en-2-yl]-5-methoxy-2,3-dihydropyran-6-one?
The IUPAC name of (2S)-2-[(2S)-but-3-en-2-yl]-5-methoxy-2,3-dihydropyran-6-one (CID 88976123) is (2S)-2-[(2S)-but-3-en-2-yl]-5-methoxy-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S)-2-[(2S)-but-3-en-2-yl]-5-methoxy-2,3-dihydropyran-6-one?
The canonical SMILES for (2S)-2-[(2S)-but-3-en-2-yl]-5-methoxy-2,3-dihydropyran-6-one is C=C[C@H](C)[C@@H]1CC=C(OC)C(=O)O1.
What is the InChIKey of (2S)-2-[(2S)-but-3-en-2-yl]-5-methoxy-2,3-dihydropyran-6-one?
The InChIKey is VVJAUQGCTZVAMM-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H14O3/c1-4-7(2)8-5-6-9(12-3)10(11)13-8/h4,6-8H,1,5H2,2-3H3/t7-,8-/m0/s1.
What are the key properties of (2S)-2-[(2S)-but-3-en-2-yl]-5-methoxy-2,3-dihydropyran-6-one?
(2S)-2-[(2S)-but-3-en-2-yl]-5-methoxy-2,3-dihydropyran-6-one has a molecular weight of 182.22 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-but-3-en-2-yl]-5-methoxy-2,3-dihydropyran-6-one is sourced from PubChem (CID 88976123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).