3,4,6-trimethyl-3,4-dihydro-2H-pyran

C8H14O — CID 20782065

IUPAC3,4,6-trimethyl-3,4-dihydro-2H-pyran
SMILESCC1=CC(C)C(C)CO1
InChIInChI=1S/C8H14O/c1-6-4-8(3)9-5-7(6)2/h4,6-7H,5H2,1-3H3
InChIKeyJRNDNBLEJAPEMF-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.19
Rot. Bonds

About 3,4,6-trimethyl-3,4-dihydro-2H-pyran

3,4,6-trimethyl-3,4-dihydro-2H-pyran (PubChem CID 20782065) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 3,4,6-trimethyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name3,4,6-trimethyl-3,4-dihydro-2H-pyran
PubChem CID20782065
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name3,4,6-trimethyl-3,4-dihydro-2H-pyran
SMILESCC1=CC(C)C(C)CO1
InChIInChI=1S/C8H14O/c1-6-4-8(3)9-5-7(6)2/h4,6-7H,5H2,1-3H3
InChIKeyJRNDNBLEJAPEMF-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethyl-3,4-dihydro-2H-pyran?
The IUPAC name of 3,4,6-trimethyl-3,4-dihydro-2H-pyran (CID 20782065) is 3,4,6-trimethyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 3,4,6-trimethyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 3,4,6-trimethyl-3,4-dihydro-2H-pyran is CC1=CC(C)C(C)CO1.
What is the InChIKey of 3,4,6-trimethyl-3,4-dihydro-2H-pyran?
The InChIKey is JRNDNBLEJAPEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-6-4-8(3)9-5-7(6)2/h4,6-7H,5H2,1-3H3.
What are the key properties of 3,4,6-trimethyl-3,4-dihydro-2H-pyran?
3,4,6-trimethyl-3,4-dihydro-2H-pyran has a molecular weight of 126.20 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 20782065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).