ethane;3-methyl-3,6-dihydro-2H-pyran

C8H16O — CID 145255537

IUPACethane;3-methyl-3,6-dihydro-2H-pyran
SMILESCC.CC1C=CCOC1
InChIInChI=1S/C6H10O.C2H6/c1-6-3-2-4-7-5-6;1-2/h2-3,6H,4-5H2,1H3;1-2H3
InChIKeyJBWPSKWOHDQKLA-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.24
Rot. Bonds

About ethane;3-methyl-3,6-dihydro-2H-pyran

ethane;3-methyl-3,6-dihydro-2H-pyran (PubChem CID 145255537) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is ethane;3-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Nameethane;3-methyl-3,6-dihydro-2H-pyran
PubChem CID145255537
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Nameethane;3-methyl-3,6-dihydro-2H-pyran
SMILESCC.CC1C=CCOC1
InChIInChI=1S/C6H10O.C2H6/c1-6-3-2-4-7-5-6;1-2/h2-3,6H,4-5H2,1H3;1-2H3
InChIKeyJBWPSKWOHDQKLA-UHFFFAOYSA-N
XLogP2.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of ethane;3-methyl-3,6-dihydro-2H-pyran (CID 145255537) is ethane;3-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for ethane;3-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for ethane;3-methyl-3,6-dihydro-2H-pyran is CC.CC1C=CCOC1.
What is the InChIKey of ethane;3-methyl-3,6-dihydro-2H-pyran?
The InChIKey is JBWPSKWOHDQKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C2H6/c1-6-3-2-4-7-5-6;1-2/h2-3,6H,4-5H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-3,6-dihydro-2H-pyran?
ethane;3-methyl-3,6-dihydro-2H-pyran has a molecular weight of 128.21 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 145255537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).