(6S)-6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran

C10H16O — CID 134995542

IUPAC(6S)-6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran
SMILESC/C=C(\C)[C@@H]1OCCC=C1C
InChIInChI=1S/C10H16O/c1-4-8(2)10-9(3)6-5-7-11-10/h4,6,10H,5,7H2,1-3H3/b8-4+/t10-/m0/s1
InChIKeyHIARIZBKBAXSPH-GOJXHPMJSA-N
MW152.24 g/mol
LogP2.69
Rot. Bonds1

About (6S)-6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran

(6S)-6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran (PubChem CID 134995542) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (6S)-6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(6S)-6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran
PubChem CID134995542
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(6S)-6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran
SMILESC/C=C(\C)[C@@H]1OCCC=C1C
InChIInChI=1S/C10H16O/c1-4-8(2)10-9(3)6-5-7-11-10/h4,6,10H,5,7H2,1-3H3/b8-4+/t10-/m0/s1
InChIKeyHIARIZBKBAXSPH-GOJXHPMJSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (6S)-6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of (6S)-6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran (CID 134995542) is (6S)-6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (6S)-6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (6S)-6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran is C/C=C(\C)[C@@H]1OCCC=C1C.
What is the InChIKey of (6S)-6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran?
The InChIKey is HIARIZBKBAXSPH-GOJXHPMJSA-N. The full InChI is InChI=1S/C10H16O/c1-4-8(2)10-9(3)6-5-7-11-10/h4,6,10H,5,7H2,1-3H3/b8-4+/t10-/m0/s1.
What are the key properties of (6S)-6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran?
(6S)-6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran has a molecular weight of 152.24 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 134995542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).