(2S)-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran

C9H14O — CID 101491017

IUPAC(2S)-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran
SMILESCC(C)=C[C@@H]1CC=CCO1
InChIInChI=1S/C9H14O/c1-8(2)7-9-5-3-4-6-10-9/h3-4,7,9H,5-6H2,1-2H3/t9-/m0/s1
InChIKeyNKJXHUWMXWATOO-VIFPVBQESA-N
MW138.21 g/mol
LogP2.30
Rot. Bonds1

About (2S)-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran

(2S)-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran (PubChem CID 101491017) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (2S)-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S)-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran
PubChem CID101491017
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(2S)-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran
SMILESCC(C)=C[C@@H]1CC=CCO1
InChIInChI=1S/C9H14O/c1-8(2)7-9-5-3-4-6-10-9/h3-4,7,9H,5-6H2,1-2H3/t9-/m0/s1
InChIKeyNKJXHUWMXWATOO-VIFPVBQESA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.30
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 (2S)-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran?
The IUPAC name of (2S)-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran (CID 101491017) is (2S)-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S)-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S)-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran is CC(C)=C[C@@H]1CC=CCO1.
What is the InChIKey of (2S)-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran?
The InChIKey is NKJXHUWMXWATOO-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14O/c1-8(2)7-9-5-3-4-6-10-9/h3-4,7,9H,5-6H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran?
(2S)-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran has a molecular weight of 138.21 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 101491017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).