5-methyl-3,4-dihydro-2H-pyran;propane

C9H18O — CID 163247082

IUPAC5-methyl-3,4-dihydro-2H-pyran;propane
SMILESCC1=COCCC1.CCC
InChIInChI=1S/C6H10O.C3H8/c1-6-3-2-4-7-5-6;1-3-2/h5H,2-4H2,1H3;3H2,1-2H3
InChIKeySTBROMGJTLGJDK-UHFFFAOYSA-N
MW142.24 g/mol
LogP3.12
Rot. Bonds

About 5-methyl-3,4-dihydro-2H-pyran;propane

5-methyl-3,4-dihydro-2H-pyran;propane (PubChem CID 163247082) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 5-methyl-3,4-dihydro-2H-pyran;propane.

Molecular Properties

Compound Name5-methyl-3,4-dihydro-2H-pyran;propane
PubChem CID163247082
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name5-methyl-3,4-dihydro-2H-pyran;propane
SMILESCC1=COCCC1.CCC
InChIInChI=1S/C6H10O.C3H8/c1-6-3-2-4-7-5-6;1-3-2/h5H,2-4H2,1H3;3H2,1-2H3
InChIKeySTBROMGJTLGJDK-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,4-dihydro-2H-pyran;propane?
The IUPAC name of 5-methyl-3,4-dihydro-2H-pyran;propane (CID 163247082) is 5-methyl-3,4-dihydro-2H-pyran;propane.
What is the SMILES notation for 5-methyl-3,4-dihydro-2H-pyran;propane?
The canonical SMILES for 5-methyl-3,4-dihydro-2H-pyran;propane is CC1=COCCC1.CCC.
What is the InChIKey of 5-methyl-3,4-dihydro-2H-pyran;propane?
The InChIKey is STBROMGJTLGJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C3H8/c1-6-3-2-4-7-5-6;1-3-2/h5H,2-4H2,1H3;3H2,1-2H3.
What are the key properties of 5-methyl-3,4-dihydro-2H-pyran;propane?
5-methyl-3,4-dihydro-2H-pyran;propane has a molecular weight of 142.24 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,4-dihydro-2H-pyran;propane is sourced from PubChem (CID 163247082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).