2H-Pyran, 3,6-dihydro-2-methyl-

C6H10O — CID 12292645

IUPAC2-methyl-3,6-dihydro-2H-pyran
SMILESCC1CC=CCO1
InChIInChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3
InChIKeyVNOWEAILEFPNGZ-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.20
Rot. Bonds

About 2H-Pyran, 3,6-dihydro-2-methyl-

2H-Pyran, 3,6-dihydro-2-methyl- (PubChem CID 12292645) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 2-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name2H-Pyran, 3,6-dihydro-2-methyl-
PubChem CID12292645
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name2-methyl-3,6-dihydro-2H-pyran
SMILESCC1CC=CCO1
InChIInChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3
InChIKeyVNOWEAILEFPNGZ-UHFFFAOYSA-N
XLogP1.20
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity76

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.20
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

3-Methoxycyclohex-1-ene
CID 137685
3,6-Dihydro-2H-pyran
CID 520540
2-Methoxypentene-4
CID 5367912
2,5-Dihydro-2,5-dimethylfuran
CID 557796
2-ethenyl-3-[(E)-non-1-en-3,5,7-triynyl]oxirane
CID 73354150
1-Methoxy-2-hexene
CID 5366215
5-Methoxy-2-prop-1-enylcyclohexa-1,3-diene
CID 20975449
Ponticaepoxide
CID 157010040
2-(Trifluoromethyl)-3,6-dihydro-2H-pyran
CID 57069777
3-Ethoxycyclohexene
CID 285902
6-Methyl-3,6-dihydro-2H-pyran
CID 521593
9-Oxabicyclo(3.3.1)nona-2,6-diene
CID 555327

Frequently Asked Questions

What is the IUPAC name of 2H-Pyran, 3,6-dihydro-2-methyl-?
The IUPAC name of 2H-Pyran, 3,6-dihydro-2-methyl- (CID 12292645) is 2-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 2H-Pyran, 3,6-dihydro-2-methyl-?
The canonical SMILES for 2H-Pyran, 3,6-dihydro-2-methyl- is CC1CC=CCO1.
What is the InChIKey of 2H-Pyran, 3,6-dihydro-2-methyl-?
The InChIKey is VNOWEAILEFPNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3.
What are the key properties of 2H-Pyran, 3,6-dihydro-2-methyl-?
2H-Pyran, 3,6-dihydro-2-methyl- has a molecular weight of 98.14 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-Pyran, 3,6-dihydro-2-methyl- is sourced from PubChem (CID 12292645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).