4,6,6-trimethyl-2,5-dihydropyran

C8H14O — CID 11040709

IUPAC4,6,6-trimethyl-2,5-dihydropyran
SMILESCC1=CCOC(C)(C)C1
InChIInChI=1S/C8H14O/c1-7-4-5-9-8(2,3)6-7/h4H,5-6H2,1-3H3
InChIKeyBKMUUFCVZIRMJK-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds

About 4,6,6-trimethyl-2,5-dihydropyran

4,6,6-trimethyl-2,5-dihydropyran (PubChem CID 11040709) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 4,6,6-trimethyl-2,5-dihydropyran.

Molecular Properties

Compound Name4,6,6-trimethyl-2,5-dihydropyran
PubChem CID11040709
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name4,6,6-trimethyl-2,5-dihydropyran
SMILESCC1=CCOC(C)(C)C1
InChIInChI=1S/C8H14O/c1-7-4-5-9-8(2,3)6-7/h4H,5-6H2,1-3H3
InChIKeyBKMUUFCVZIRMJK-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.13
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 4,6,6-trimethyl-2,5-dihydropyran?
The IUPAC name of 4,6,6-trimethyl-2,5-dihydropyran (CID 11040709) is 4,6,6-trimethyl-2,5-dihydropyran.
What is the SMILES notation for 4,6,6-trimethyl-2,5-dihydropyran?
The canonical SMILES for 4,6,6-trimethyl-2,5-dihydropyran is CC1=CCOC(C)(C)C1.
What is the InChIKey of 4,6,6-trimethyl-2,5-dihydropyran?
The InChIKey is BKMUUFCVZIRMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-7-4-5-9-8(2,3)6-7/h4H,5-6H2,1-3H3.
What are the key properties of 4,6,6-trimethyl-2,5-dihydropyran?
4,6,6-trimethyl-2,5-dihydropyran has a molecular weight of 126.20 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6-trimethyl-2,5-dihydropyran is sourced from PubChem (CID 11040709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).