4-propan-2-yl-2,3-dihydropyran

C8H12O — CID 88871343

IUPAC4-propan-2-yl-2,3-dihydropyran
SMILESCC(C)C1=C=COCC1
InChIInChI=1S/C8H12O/c1-7(2)8-3-5-9-6-4-8/h6-7H,3,5H2,1-2H3
InChIKeyNEZDKRRSHSLQHW-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.10
Rot. Bonds1

About 4-propan-2-yl-2,3-dihydropyran

4-propan-2-yl-2,3-dihydropyran (PubChem CID 88871343) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 4-propan-2-yl-2,3-dihydropyran.

Molecular Properties

Compound Name4-propan-2-yl-2,3-dihydropyran
PubChem CID88871343
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name4-propan-2-yl-2,3-dihydropyran
SMILESCC(C)C1=C=COCC1
InChIInChI=1S/C8H12O/c1-7(2)8-3-5-9-6-4-8/h6-7H,3,5H2,1-2H3
InChIKeyNEZDKRRSHSLQHW-UHFFFAOYSA-N
XLogP2.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2,3-dihydropyran?
The IUPAC name of 4-propan-2-yl-2,3-dihydropyran (CID 88871343) is 4-propan-2-yl-2,3-dihydropyran.
What is the SMILES notation for 4-propan-2-yl-2,3-dihydropyran?
The canonical SMILES for 4-propan-2-yl-2,3-dihydropyran is CC(C)C1=C=COCC1.
What is the InChIKey of 4-propan-2-yl-2,3-dihydropyran?
The InChIKey is NEZDKRRSHSLQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-7(2)8-3-5-9-6-4-8/h6-7H,3,5H2,1-2H3.
What are the key properties of 4-propan-2-yl-2,3-dihydropyran?
4-propan-2-yl-2,3-dihydropyran has a molecular weight of 124.18 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2,3-dihydropyran is sourced from PubChem (CID 88871343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).