2,6-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran

C13H24O — CID 135194514

IUPAC2,6-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran
SMILESCC1CC(C(C)C)=C(C(C)C)C(C)O1
InChIInChI=1S/C13H24O/c1-8(2)12-7-10(5)14-11(6)13(12)9(3)4/h8-11H,7H2,1-6H3
InChIKeyOJFPZMSGDYEAQW-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.79
Rot. Bonds2

About 2,6-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran

2,6-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran (PubChem CID 135194514) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 2,6-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name2,6-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran
PubChem CID135194514
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name2,6-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran
SMILESCC1CC(C(C)C)=C(C(C)C)C(C)O1
InChIInChI=1S/C13H24O/c1-8(2)12-7-10(5)14-11(6)13(12)9(3)4/h8-11H,7H2,1-6H3
InChIKeyOJFPZMSGDYEAQW-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.79
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 2,6-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran?
The IUPAC name of 2,6-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran (CID 135194514) is 2,6-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 2,6-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 2,6-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran is CC1CC(C(C)C)=C(C(C)C)C(C)O1.
What is the InChIKey of 2,6-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran?
The InChIKey is OJFPZMSGDYEAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-8(2)12-7-10(5)14-11(6)13(12)9(3)4/h8-11H,7H2,1-6H3.
What are the key properties of 2,6-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran?
2,6-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran has a molecular weight of 196.33 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 135194514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).