3-(1-methoxybutyl)-4-methyl-3,6-dihydro-2H-pyran

C11H20O2 — CID 13227840

IUPAC3-(1-methoxybutyl)-4-methyl-3,6-dihydro-2H-pyran
SMILESCCCC(OC)C1COCC=C1C
InChIInChI=1S/C11H20O2/c1-4-5-11(12-3)10-8-13-7-6-9(10)2/h6,10-11H,4-5,7-8H2,1-3H3
InChIKeyRVTAFRFDYNKCDW-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.39
Rot. Bonds4

About 3-(1-methoxybutyl)-4-methyl-3,6-dihydro-2H-pyran

3-(1-methoxybutyl)-4-methyl-3,6-dihydro-2H-pyran (PubChem CID 13227840) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(1-methoxybutyl)-4-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name3-(1-methoxybutyl)-4-methyl-3,6-dihydro-2H-pyran
PubChem CID13227840
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-(1-methoxybutyl)-4-methyl-3,6-dihydro-2H-pyran
SMILESCCCC(OC)C1COCC=C1C
InChIInChI=1S/C11H20O2/c1-4-5-11(12-3)10-8-13-7-6-9(10)2/h6,10-11H,4-5,7-8H2,1-3H3
InChIKeyRVTAFRFDYNKCDW-UHFFFAOYSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Carvyl acetate
CID 7335
Rose oxide
CID 27866
Rose oxide, cis-(-)-
CID 1712087
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, 1-acetate, (1R,5R)-rel-
CID 102024
Carvyl acetate, (1S,5R)-
CID 81505
Rose oxide, cis-(+)-
CID 6432154
Rose oxide, trans-(-)-
CID 7093102
2,6,9,10-Tetramethyl-1-oxaspiro(4.5)deca-3,6-diene
CID 116740
1-Oxaspiro[4.5]deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)-
CID 20268659
Carvyl acetate, (1S,5S)-
CID 81544
2H-Pyran, 3,6-dihydro-4-methyl-2-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-
CID 24990786
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R-trans)-
CID 6951358

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxybutyl)-4-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of 3-(1-methoxybutyl)-4-methyl-3,6-dihydro-2H-pyran (CID 13227840) is 3-(1-methoxybutyl)-4-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 3-(1-methoxybutyl)-4-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 3-(1-methoxybutyl)-4-methyl-3,6-dihydro-2H-pyran is CCCC(OC)C1COCC=C1C.
What is the InChIKey of 3-(1-methoxybutyl)-4-methyl-3,6-dihydro-2H-pyran?
The InChIKey is RVTAFRFDYNKCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-5-11(12-3)10-8-13-7-6-9(10)2/h6,10-11H,4-5,7-8H2,1-3H3.
What are the key properties of 3-(1-methoxybutyl)-4-methyl-3,6-dihydro-2H-pyran?
3-(1-methoxybutyl)-4-methyl-3,6-dihydro-2H-pyran has a molecular weight of 184.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxybutyl)-4-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 13227840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).