2-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran

C9H16O — CID 59012693

IUPAC2-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran
SMILESCC1CCC(C(C)C)=CO1
InChIInChI=1S/C9H16O/c1-7(2)9-5-4-8(3)10-6-9/h6-8H,4-5H2,1-3H3
InChIKeyBVPBJOTZSSQGTH-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.73
Rot. Bonds1

About 2-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran

2-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran (PubChem CID 59012693) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran
PubChem CID59012693
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran
SMILESCC1CCC(C(C)C)=CO1
InChIInChI=1S/C9H16O/c1-7(2)9-5-4-8(3)10-6-9/h6-8H,4-5H2,1-3H3
InChIKeyBVPBJOTZSSQGTH-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran?
The IUPAC name of 2-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran (CID 59012693) is 2-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran?
The canonical SMILES for 2-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran is CC1CCC(C(C)C)=CO1.
What is the InChIKey of 2-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran?
The InChIKey is BVPBJOTZSSQGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7(2)9-5-4-8(3)10-6-9/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran?
2-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran has a molecular weight of 140.23 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 59012693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).