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

C8H14O — CID 58987600

IUPAC(2S)-2-propan-2-yl-3,4-dihydro-2H-pyran
SMILESCC(C)[C@@H]1CCC=CO1
InChIInChI=1S/C8H14O/c1-7(2)8-5-3-4-6-9-8/h4,6-8H,3,5H2,1-2H3/t8-/m0/s1
InChIKeyHIOUNBVULZFXMZ-QMMMGPOBSA-N
MW126.20 g/mol
LogP2.34
Rot. Bonds1

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

(2S)-2-propan-2-yl-3,4-dihydro-2H-pyran (PubChem CID 58987600) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2S)-2-propan-2-yl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S)-2-propan-2-yl-3,4-dihydro-2H-pyran
PubChem CID58987600
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2S)-2-propan-2-yl-3,4-dihydro-2H-pyran
SMILESCC(C)[C@@H]1CCC=CO1
InChIInChI=1S/C8H14O/c1-7(2)8-5-3-4-6-9-8/h4,6-8H,3,5H2,1-2H3/t8-/m0/s1
InChIKeyHIOUNBVULZFXMZ-QMMMGPOBSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-propan-2-yl-3,4-dihydro-2H-pyran?
The IUPAC name of (2S)-2-propan-2-yl-3,4-dihydro-2H-pyran (CID 58987600) is (2S)-2-propan-2-yl-3,4-dihydro-2H-pyran.
What is the SMILES notation for (2S)-2-propan-2-yl-3,4-dihydro-2H-pyran?
The canonical SMILES for (2S)-2-propan-2-yl-3,4-dihydro-2H-pyran is CC(C)[C@@H]1CCC=CO1.
What is the InChIKey of (2S)-2-propan-2-yl-3,4-dihydro-2H-pyran?
The InChIKey is HIOUNBVULZFXMZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14O/c1-7(2)8-5-3-4-6-9-8/h4,6-8H,3,5H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-2-propan-2-yl-3,4-dihydro-2H-pyran?
(2S)-2-propan-2-yl-3,4-dihydro-2H-pyran has a molecular weight of 126.20 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-propan-2-yl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 58987600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).