6-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyran

C9H14O — CID 12734639

IUPAC6-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyran
SMILESC=C(C)C1CCC=C(C)O1
InChIInChI=1S/C9H14O/c1-7(2)9-6-4-5-8(3)10-9/h5,9H,1,4,6H2,2-3H3
InChIKeyWRYLIELKPRWYBO-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.65
Rot. Bonds1

About 6-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyran

6-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyran (PubChem CID 12734639) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 6-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyran
PubChem CID12734639
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name6-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyran
SMILESC=C(C)C1CCC=C(C)O1
InChIInChI=1S/C9H14O/c1-7(2)9-6-4-5-8(3)10-9/h5,9H,1,4,6H2,2-3H3
InChIKeyWRYLIELKPRWYBO-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.65
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 6-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyran?
The IUPAC name of 6-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyran (CID 12734639) is 6-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyran is C=C(C)C1CCC=C(C)O1.
What is the InChIKey of 6-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyran?
The InChIKey is WRYLIELKPRWYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-7(2)9-6-4-5-8(3)10-9/h5,9H,1,4,6H2,2-3H3.
What are the key properties of 6-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyran?
6-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyran has a molecular weight of 138.21 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 12734639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).