(2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran

C9H16O — CID 59119523

IUPAC(2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran
SMILESCC1=CCO[C@H](C(C)C)C1
InChIInChI=1S/C9H16O/c1-7(2)9-6-8(3)4-5-10-9/h4,7,9H,5-6H2,1-3H3/t9-/m0/s1
InChIKeySJXYBKMOVDUPJH-VIFPVBQESA-N
MW140.23 g/mol
LogP2.38
Rot. Bonds1

About (2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran

(2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran (PubChem CID 59119523) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran
PubChem CID59119523
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran
SMILESCC1=CCO[C@H](C(C)C)C1
InChIInChI=1S/C9H16O/c1-7(2)9-6-8(3)4-5-10-9/h4,7,9H,5-6H2,1-3H3/t9-/m0/s1
InChIKeySJXYBKMOVDUPJH-VIFPVBQESA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.38
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)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran?
The IUPAC name of (2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran (CID 59119523) is (2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran is CC1=CCO[C@H](C(C)C)C1.
What is the InChIKey of (2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran?
The InChIKey is SJXYBKMOVDUPJH-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16O/c1-7(2)9-6-8(3)4-5-10-9/h4,7,9H,5-6H2,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran?
(2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran has a molecular weight of 140.23 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 59119523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).