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

C11H20O — CID 89027315

IUPAC4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran
SMILESCC(C)C1=C(C(C)C)COCC1
InChIInChI=1S/C11H20O/c1-8(2)10-5-6-12-7-11(10)9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyHKRMLPWWOFCCDM-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.02
Rot. Bonds2

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

4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran (PubChem CID 89027315) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran
PubChem CID89027315
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran
SMILESCC(C)C1=C(C(C)C)COCC1
InChIInChI=1S/C11H20O/c1-8(2)10-5-6-12-7-11(10)9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyHKRMLPWWOFCCDM-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.02
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 4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran?
The IUPAC name of 4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran (CID 89027315) is 4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran is CC(C)C1=C(C(C)C)COCC1.
What is the InChIKey of 4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran?
The InChIKey is HKRMLPWWOFCCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-8(2)10-5-6-12-7-11(10)9(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran?
4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran has a molecular weight of 168.28 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 89027315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).