2,3,4,5,6-pentamethyl-3,6-dihydro-2H-pyran

C10H18O — CID 118643065

IUPAC2,3,4,5,6-pentamethyl-3,6-dihydro-2H-pyran
SMILESCC1=C(C)C(C)C(C)OC1C
InChIInChI=1S/C10H18O/c1-6-7(2)9(4)11-10(5)8(6)3/h7,9-10H,1-5H3
InChIKeyCGABIAHEUQNULS-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds

About 2,3,4,5,6-pentamethyl-3,6-dihydro-2H-pyran

2,3,4,5,6-pentamethyl-3,6-dihydro-2H-pyran (PubChem CID 118643065) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name2,3,4,5,6-pentamethyl-3,6-dihydro-2H-pyran
PubChem CID118643065
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2,3,4,5,6-pentamethyl-3,6-dihydro-2H-pyran
SMILESCC1=C(C)C(C)C(C)OC1C
InChIInChI=1S/C10H18O/c1-6-7(2)9(4)11-10(5)8(6)3/h7,9-10H,1-5H3
InChIKeyCGABIAHEUQNULS-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.77
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 2,3,4,5,6-pentamethyl-3,6-dihydro-2H-pyran?
The IUPAC name of 2,3,4,5,6-pentamethyl-3,6-dihydro-2H-pyran (CID 118643065) is 2,3,4,5,6-pentamethyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 2,3,4,5,6-pentamethyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 2,3,4,5,6-pentamethyl-3,6-dihydro-2H-pyran is CC1=C(C)C(C)C(C)OC1C.
What is the InChIKey of 2,3,4,5,6-pentamethyl-3,6-dihydro-2H-pyran?
The InChIKey is CGABIAHEUQNULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-6-7(2)9(4)11-10(5)8(6)3/h7,9-10H,1-5H3.
What are the key properties of 2,3,4,5,6-pentamethyl-3,6-dihydro-2H-pyran?
2,3,4,5,6-pentamethyl-3,6-dihydro-2H-pyran has a molecular weight of 154.25 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 118643065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).