4-methyl-5-propan-2-yl-3,6-dihydro-2H-pyran

C9H16O — CID 89041206

IUPAC4-methyl-5-propan-2-yl-3,6-dihydro-2H-pyran
SMILESCC1=C(C(C)C)COCC1
InChIInChI=1S/C9H16O/c1-7(2)9-6-10-5-4-8(9)3/h7H,4-6H2,1-3H3
InChIKeyYIIZYOWLHRYRRH-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.38
Rot. Bonds1

About 4-methyl-5-propan-2-yl-3,6-dihydro-2H-pyran

4-methyl-5-propan-2-yl-3,6-dihydro-2H-pyran (PubChem CID 89041206) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-methyl-5-propan-2-yl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4-methyl-5-propan-2-yl-3,6-dihydro-2H-pyran
PubChem CID89041206
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name4-methyl-5-propan-2-yl-3,6-dihydro-2H-pyran
SMILESCC1=C(C(C)C)COCC1
InChIInChI=1S/C9H16O/c1-7(2)9-6-10-5-4-8(9)3/h7H,4-6H2,1-3H3
InChIKeyYIIZYOWLHRYRRH-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2H-Pyran, 5,6-dihydro-4,5-dimethyl-2-(2-methyl-1-propen-1-yl)-
CID 103463
4,5-dimethyl-3,6-dihydro-2H-pyran
CID 21354354
5-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyran
CID 176585477
2H-Pyran, 5,6-dihydro-4-methyl-2-(1-methylethyl)-
CID 12283090
(2R)-4,5-dimethyl-2-propan-2-yl-3,6-dihydro-2H-pyran
CID 154711650
1-(2-Methylbutoxy)-2-(propan-2-ylidene)cyclopropane
CID 53440394
5-tert-butyl-3,6-dihydro-2H-pyran
CID 14227158
3,4-dimethyl-3,6-dihydro-2H-pyran
CID 20475566
4-(1-Methoxypropan-2-ylidene)oxane
CID 57602867
3,4-Di(propan-2-yl)-2,5-dihydrofuran
CID 57632404
4-tert-butyl-5-propan-2-yl-3,6-dihydro-2H-pyran
CID 58233736
5-propan-2-yl-3,6-dihydro-2H-pyran
CID 58547544

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-propan-2-yl-3,6-dihydro-2H-pyran?
The IUPAC name of 4-methyl-5-propan-2-yl-3,6-dihydro-2H-pyran (CID 89041206) is 4-methyl-5-propan-2-yl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4-methyl-5-propan-2-yl-3,6-dihydro-2H-pyran?
The canonical SMILES for 4-methyl-5-propan-2-yl-3,6-dihydro-2H-pyran is CC1=C(C(C)C)COCC1.
What is the InChIKey of 4-methyl-5-propan-2-yl-3,6-dihydro-2H-pyran?
The InChIKey is YIIZYOWLHRYRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7(2)9-6-10-5-4-8(9)3/h7H,4-6H2,1-3H3.
What are the key properties of 4-methyl-5-propan-2-yl-3,6-dihydro-2H-pyran?
4-methyl-5-propan-2-yl-3,6-dihydro-2H-pyran has a molecular weight of 140.23 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propan-2-yl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 89041206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).