(2R,3S,4R)-3-methyl-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-ol

C9H14O2 — CID 131241498

IUPAC(2R,3S,4R)-3-methyl-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-ol
SMILESC/C=C/[C@H]1OC=C[C@@H](O)[C@@H]1C
InChIInChI=1S/C9H14O2/c1-3-4-9-7(2)8(10)5-6-11-9/h3-10H,1-2H3/b4-3+/t7-,8+,9+/m0/s1
InChIKeyPQSHIGKZZMRZAW-IYYSROKISA-N
MW154.21 g/mol
LogP1.47
Rot. Bonds1

About (2R,3S,4R)-3-methyl-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-ol

(2R,3S,4R)-3-methyl-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-ol (PubChem CID 131241498) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (2R,3S,4R)-3-methyl-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-ol.

Molecular Properties

Compound Name(2R,3S,4R)-3-methyl-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-ol
PubChem CID131241498
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(2R,3S,4R)-3-methyl-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-ol
SMILESC/C=C/[C@H]1OC=C[C@@H](O)[C@@H]1C
InChIInChI=1S/C9H14O2/c1-3-4-9-7(2)8(10)5-6-11-9/h3-10H,1-2H3/b4-3+/t7-,8+,9+/m0/s1
InChIKeyPQSHIGKZZMRZAW-IYYSROKISA-N
XLogP1.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S)-2-methyl-3,4-dihydro-2H-pyran-3,4-diol
CID 12816776
3-hydroxy-2-prop-1-enyl-2,3-dihydropyran-6-one
CID 78411930
5,6-dimethylcyclohex-2-ene-1,4-diol
CID 58010997
2-methylcyclopent-4-ene-1,3-diol
CID 85423697
(3S)-3-ethoxy-2-methyl-3,4-dihydro-2H-pyran-4-ol
CID 143821584
(2R,3S,4S)-2-methyl-3-methylsulfanyl-3,4-dihydro-2H-pyran-4-ol
CID 11744929
(2R,3R,5S)-3,5-dimethyl-2-[(Z)-prop-1-enyl]oxan-4-amine
CID 143794731
(2R,3S,4R)-2-ethyl-3,4-dihydro-2H-pyran-3,4-diol
CID 118517723
(2R)-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol
CID 163959935
(2R,3S)-5-iodo-3-methyl-2-[(E)-prop-1-enyl]-2,3-dihydropyran-4-one
CID 102586191
(2S,3S)-2-pentyl-2,3-dihydrofuran-3-ol
CID 101076795
3-acetyl-2,3-dihydrofuran-2-carbaldehyde
CID 174487637

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-3-methyl-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-ol?
The IUPAC name of (2R,3S,4R)-3-methyl-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-ol (CID 131241498) is (2R,3S,4R)-3-methyl-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-ol.
What is the SMILES notation for (2R,3S,4R)-3-methyl-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-ol?
The canonical SMILES for (2R,3S,4R)-3-methyl-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-ol is C/C=C/[C@H]1OC=C[C@@H](O)[C@@H]1C.
What is the InChIKey of (2R,3S,4R)-3-methyl-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-ol?
The InChIKey is PQSHIGKZZMRZAW-IYYSROKISA-N. The full InChI is InChI=1S/C9H14O2/c1-3-4-9-7(2)8(10)5-6-11-9/h3-10H,1-2H3/b4-3+/t7-,8+,9+/m0/s1.
What are the key properties of (2R,3S,4R)-3-methyl-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-ol?
(2R,3S,4R)-3-methyl-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-ol has a molecular weight of 154.21 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-3-methyl-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-ol is sourced from PubChem (CID 131241498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).