4,5-dimethyl-3,6-dihydro-2H-pyran;ethane

C9H18O — CID 91515777

IUPAC4,5-dimethyl-3,6-dihydro-2H-pyran;ethane
SMILESCC.CC1=C(C)COCC1
InChIInChI=1S/C7H12O.C2H6/c1-6-3-4-8-5-7(6)2;1-2/h3-5H2,1-2H3;1-2H3
InChIKeyDYGMPCRSESLJPR-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.77
Rot. Bonds

About 4,5-dimethyl-3,6-dihydro-2H-pyran;ethane

4,5-dimethyl-3,6-dihydro-2H-pyran;ethane (PubChem CID 91515777) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 4,5-dimethyl-3,6-dihydro-2H-pyran;ethane.

Molecular Properties

Compound Name4,5-dimethyl-3,6-dihydro-2H-pyran;ethane
PubChem CID91515777
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name4,5-dimethyl-3,6-dihydro-2H-pyran;ethane
SMILESCC.CC1=C(C)COCC1
InChIInChI=1S/C7H12O.C2H6/c1-6-3-4-8-5-7(6)2;1-2/h3-5H2,1-2H3;1-2H3
InChIKeyDYGMPCRSESLJPR-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
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 4,5-dimethyl-3,6-dihydro-2H-pyran;ethane?
The IUPAC name of 4,5-dimethyl-3,6-dihydro-2H-pyran;ethane (CID 91515777) is 4,5-dimethyl-3,6-dihydro-2H-pyran;ethane.
What is the SMILES notation for 4,5-dimethyl-3,6-dihydro-2H-pyran;ethane?
The canonical SMILES for 4,5-dimethyl-3,6-dihydro-2H-pyran;ethane is CC.CC1=C(C)COCC1.
What is the InChIKey of 4,5-dimethyl-3,6-dihydro-2H-pyran;ethane?
The InChIKey is DYGMPCRSESLJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O.C2H6/c1-6-3-4-8-5-7(6)2;1-2/h3-5H2,1-2H3;1-2H3.
What are the key properties of 4,5-dimethyl-3,6-dihydro-2H-pyran;ethane?
4,5-dimethyl-3,6-dihydro-2H-pyran;ethane has a molecular weight of 142.24 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3,6-dihydro-2H-pyran;ethane is sourced from PubChem (CID 91515777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).