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

C10H22O — CID 167500418

IUPACethane;5-methyl-3,4-dihydro-2H-pyran
SMILESCC.CC.CC1=COCCC1
InChIInChI=1S/C6H10O.2C2H6/c1-6-3-2-4-7-5-6;2*1-2/h5H,2-4H2,1H3;2*1-2H3
InChIKeyAUBIOONZTKVFFY-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.75
Rot. Bonds

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

ethane;5-methyl-3,4-dihydro-2H-pyran (PubChem CID 167500418) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is ethane;5-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Nameethane;5-methyl-3,4-dihydro-2H-pyran
PubChem CID167500418
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Nameethane;5-methyl-3,4-dihydro-2H-pyran
SMILESCC.CC.CC1=COCCC1
InChIInChI=1S/C6H10O.2C2H6/c1-6-3-2-4-7-5-6;2*1-2/h5H,2-4H2,1H3;2*1-2H3
InChIKeyAUBIOONZTKVFFY-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of ethane;5-methyl-3,4-dihydro-2H-pyran (CID 167500418) is ethane;5-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for ethane;5-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for ethane;5-methyl-3,4-dihydro-2H-pyran is CC.CC.CC1=COCCC1.
What is the InChIKey of ethane;5-methyl-3,4-dihydro-2H-pyran?
The InChIKey is AUBIOONZTKVFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.2C2H6/c1-6-3-2-4-7-5-6;2*1-2/h5H,2-4H2,1H3;2*1-2H3.
What are the key properties of ethane;5-methyl-3,4-dihydro-2H-pyran?
ethane;5-methyl-3,4-dihydro-2H-pyran has a molecular weight of 158.28 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 167500418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).