6-ethyl-5,6-dimethyl-3,4-didehydro-2,5-dihydropyran

C9H14O — CID 88896405

IUPAC6-ethyl-5,6-dimethyl-3,4-didehydro-2,5-dihydropyran
SMILESCCC1(C)OCC#CC1C
InChIInChI=1S/C9H14O/c1-4-9(3)8(2)6-5-7-10-9/h8H,4,7H2,1-3H3
InChIKeyLCWCWTMKHDPSJA-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.82
Rot. Bonds1

About 6-ethyl-5,6-dimethyl-3,4-didehydro-2,5-dihydropyran

6-ethyl-5,6-dimethyl-3,4-didehydro-2,5-dihydropyran (PubChem CID 88896405) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 6-ethyl-5,6-dimethyl-3,4-didehydro-2,5-dihydropyran.

Molecular Properties

Compound Name6-ethyl-5,6-dimethyl-3,4-didehydro-2,5-dihydropyran
PubChem CID88896405
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name6-ethyl-5,6-dimethyl-3,4-didehydro-2,5-dihydropyran
SMILESCCC1(C)OCC#CC1C
InChIInChI=1S/C9H14O/c1-4-9(3)8(2)6-5-7-10-9/h8H,4,7H2,1-3H3
InChIKeyLCWCWTMKHDPSJA-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-ethyl-5,6-dimethyl-3,4-didehydro-2,5-dihydropyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Hexyne, 3-ethoxy-3,4-dimethyl-
CID 550222
(6R)-2-methoxy-2,6,7-trimethyloct-3-yne
CID 58370645
2,3-Dimethyl-3-prop-2-ynoxypentane
CID 118657495
4-Ethoxy-3,4-dimethylcyclopentyne
CID 163556766
(2R,3S,4R)-2,3,4-trimethyl-2-prop-1-ynyloxetane
CID 12729844
(2R,3R,4R)-2,3,4-trimethyl-2-prop-1-ynyloxetane
CID 12729845
(2R,3R,4S)-2,3,4-trimethyl-2-prop-1-ynyloxetane
CID 12729846
(2S,3R,4S)-2,3,4-trimethyl-2-prop-1-ynyloxetane
CID 45079309

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5,6-dimethyl-3,4-didehydro-2,5-dihydropyran?
The IUPAC name of 6-ethyl-5,6-dimethyl-3,4-didehydro-2,5-dihydropyran (CID 88896405) is 6-ethyl-5,6-dimethyl-3,4-didehydro-2,5-dihydropyran.
What is the SMILES notation for 6-ethyl-5,6-dimethyl-3,4-didehydro-2,5-dihydropyran?
The canonical SMILES for 6-ethyl-5,6-dimethyl-3,4-didehydro-2,5-dihydropyran is CCC1(C)OCC#CC1C.
What is the InChIKey of 6-ethyl-5,6-dimethyl-3,4-didehydro-2,5-dihydropyran?
The InChIKey is LCWCWTMKHDPSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-4-9(3)8(2)6-5-7-10-9/h8H,4,7H2,1-3H3.
What are the key properties of 6-ethyl-5,6-dimethyl-3,4-didehydro-2,5-dihydropyran?
6-ethyl-5,6-dimethyl-3,4-didehydro-2,5-dihydropyran has a molecular weight of 138.21 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5,6-dimethyl-3,4-didehydro-2,5-dihydropyran is sourced from PubChem (CID 88896405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).