6,6-dimethyl-3,4-di(propan-2-yl)-2,5-dihydropyran

C13H24O — CID 135194510

IUPAC6,6-dimethyl-3,4-di(propan-2-yl)-2,5-dihydropyran
SMILESCC(C)C1=C(C(C)C)CC(C)(C)OC1
InChIInChI=1S/C13H24O/c1-9(2)11-7-13(5,6)14-8-12(11)10(3)4/h9-10H,7-8H2,1-6H3
InChIKeyQTXIYXXSBFXWKH-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.79
Rot. Bonds2

About 6,6-dimethyl-3,4-di(propan-2-yl)-2,5-dihydropyran

6,6-dimethyl-3,4-di(propan-2-yl)-2,5-dihydropyran (PubChem CID 135194510) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 6,6-dimethyl-3,4-di(propan-2-yl)-2,5-dihydropyran.

Molecular Properties

Compound Name6,6-dimethyl-3,4-di(propan-2-yl)-2,5-dihydropyran
PubChem CID135194510
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name6,6-dimethyl-3,4-di(propan-2-yl)-2,5-dihydropyran
SMILESCC(C)C1=C(C(C)C)CC(C)(C)OC1
InChIInChI=1S/C13H24O/c1-9(2)11-7-13(5,6)14-8-12(11)10(3)4/h9-10H,7-8H2,1-6H3
InChIKeyQTXIYXXSBFXWKH-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 6,6-dimethyl-3,4-di(propan-2-yl)-2,5-dihydropyran?
The IUPAC name of 6,6-dimethyl-3,4-di(propan-2-yl)-2,5-dihydropyran (CID 135194510) is 6,6-dimethyl-3,4-di(propan-2-yl)-2,5-dihydropyran.
What is the SMILES notation for 6,6-dimethyl-3,4-di(propan-2-yl)-2,5-dihydropyran?
The canonical SMILES for 6,6-dimethyl-3,4-di(propan-2-yl)-2,5-dihydropyran is CC(C)C1=C(C(C)C)CC(C)(C)OC1.
What is the InChIKey of 6,6-dimethyl-3,4-di(propan-2-yl)-2,5-dihydropyran?
The InChIKey is QTXIYXXSBFXWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-9(2)11-7-13(5,6)14-8-12(11)10(3)4/h9-10H,7-8H2,1-6H3.
What are the key properties of 6,6-dimethyl-3,4-di(propan-2-yl)-2,5-dihydropyran?
6,6-dimethyl-3,4-di(propan-2-yl)-2,5-dihydropyran 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 6,6-dimethyl-3,4-di(propan-2-yl)-2,5-dihydropyran is sourced from PubChem (CID 135194510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).