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

C11H24O — CID 145304532

IUPAC4,5-dimethyl-3,6-dihydro-2H-pyran;ethane
SMILESCC.CC.CC1=C(C)COCC1
InChIInChI=1S/C7H12O.2C2H6/c1-6-3-4-8-5-7(6)2;2*1-2/h3-5H2,1-2H3;2*1-2H3
InChIKeyQMPBGXNEYYWIBF-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.80
Rot. Bonds

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

4,5-dimethyl-3,6-dihydro-2H-pyran;ethane (PubChem CID 145304532) has the molecular formula C11H24O and a molecular weight of 172.31 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 CID145304532
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name4,5-dimethyl-3,6-dihydro-2H-pyran;ethane
SMILESCC.CC.CC1=C(C)COCC1
InChIInChI=1S/C7H12O.2C2H6/c1-6-3-4-8-5-7(6)2;2*1-2/h3-5H2,1-2H3;2*1-2H3
InChIKeyQMPBGXNEYYWIBF-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2H-Pyran, 3,6-dihydro-5-(4-methyl-3-pentenyl)-
CID 172806
3,6-Dihydro-4-methyl-2H-pyran
CID 85360
Borane, diethyl[1-ethyl-2-(methoxymethyl)-1-butenyl]-, (Z)-
CID 5366257
4,5-dimethyl-3,6-dihydro-2H-pyran
CID 21354354
2,4,5-trimethyl-3,6-dihydro-2H-pyran
CID 132519624
2H-Pyran, 5,6-dihydro-4-methyl-2-(1-methyl-1-buten-1-yl)-
CID 6450423
5-Fluoro-4,6,6-trimethyl-2,3-dihydropyran
CID 168259918
5-fluoro-4-methyl-3,6-dihydro-2H-pyran
CID 168259928
(Z)-1,5-diethoxy-3-methylpent-2-ene
CID 146216358
(E)-1,5-diethoxy-3-methylpent-2-ene
CID 146216371
4-methyl-6-(pent-2-en-2-yl)-3,6-dihydro-2H-pyran
CID 73556724
diethyl-[(E)-4-(methoxymethyl)hex-3-en-3-yl]borane
CID 101279186

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 145304532) 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.CC.CC1=C(C)COCC1.
What is the InChIKey of 4,5-dimethyl-3,6-dihydro-2H-pyran;ethane?
The InChIKey is QMPBGXNEYYWIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O.2C2H6/c1-6-3-4-8-5-7(6)2;2*1-2/h3-5H2,1-2H3;2*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 172.31 g/mol, XLogP of 3.80, 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 145304532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).