6-[(1E)-1-ethoxybuta-1,3-dienyl]-3,4-dihydro-2H-pyran

C11H16O2 — CID 11458036

IUPAC6-[(1E)-1-ethoxybuta-1,3-dienyl]-3,4-dihydro-2H-pyran
SMILESC=C/C=C(/OCC)C1=CCCCO1
InChIInChI=1S/C11H16O2/c1-3-7-10(12-4-2)11-8-5-6-9-13-11/h3,7-8H,1,4-6,9H2,2H3/b10-7+
InChIKeyLYJFYYSUPPIKSX-JXMROGBWSA-N
MW180.25 g/mol
LogP2.79
Rot. Bonds4

About 6-[(1E)-1-ethoxybuta-1,3-dienyl]-3,4-dihydro-2H-pyran

6-[(1E)-1-ethoxybuta-1,3-dienyl]-3,4-dihydro-2H-pyran (PubChem CID 11458036) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 6-[(1E)-1-ethoxybuta-1,3-dienyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-[(1E)-1-ethoxybuta-1,3-dienyl]-3,4-dihydro-2H-pyran
PubChem CID11458036
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name6-[(1E)-1-ethoxybuta-1,3-dienyl]-3,4-dihydro-2H-pyran
SMILESC=C/C=C(/OCC)C1=CCCCO1
InChIInChI=1S/C11H16O2/c1-3-7-10(12-4-2)11-8-5-6-9-13-11/h3,7-8H,1,4-6,9H2,2H3/b10-7+
InChIKeyLYJFYYSUPPIKSX-JXMROGBWSA-N
XLogP2.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 6-[(1E)-1-ethoxybuta-1,3-dienyl]-3,4-dihydro-2H-pyran 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

2-Butoxy-2,6-dimethyl-2H-pyran
CID 3047542
6-(3,4-dihydro-2H-pyran-6-yl)-3,4-dihydro-2H-pyran
CID 3505654
7-[(1E)-1-ethoxybuta-1,3-dienyl]-2,3,4,5-tetrahydrooxepine
CID 11287020
6-(2,3-dihydrofuran-2-yl)-3,4-dihydro-2H-pyran
CID 11321053
(2S)-2-methyl-6-[(2S)-2-methyl-3,4-dihydro-2H-pyran-6-yl]-3,4-dihydro-2H-pyran
CID 10921415
Dimethoxycyclohexadiene
CID 14358150
2,3,7,8-Tetrahydrobenzo-p-dioxin
CID 21873558
Dihydropyrano[3,2-b]pyran
CID 129833231
3-ethoxy-5-methylidene-2H-pyran
CID 163669458
2-Isopropoxy-1,3-cyclohexadiene
CID 145330
5-Fluoro-5-(2-methoxyethoxy)cyclohexa-1,3-diene
CID 67174967
5-Fluoro-2,3,5,6-tetrahydro-1,4-benzodioxine
CID 141758314

Frequently Asked Questions

What is the IUPAC name of 6-[(1E)-1-ethoxybuta-1,3-dienyl]-3,4-dihydro-2H-pyran?
The IUPAC name of 6-[(1E)-1-ethoxybuta-1,3-dienyl]-3,4-dihydro-2H-pyran (CID 11458036) is 6-[(1E)-1-ethoxybuta-1,3-dienyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-[(1E)-1-ethoxybuta-1,3-dienyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-[(1E)-1-ethoxybuta-1,3-dienyl]-3,4-dihydro-2H-pyran is C=C/C=C(/OCC)C1=CCCCO1.
What is the InChIKey of 6-[(1E)-1-ethoxybuta-1,3-dienyl]-3,4-dihydro-2H-pyran?
The InChIKey is LYJFYYSUPPIKSX-JXMROGBWSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-7-10(12-4-2)11-8-5-6-9-13-11/h3,7-8H,1,4-6,9H2,2H3/b10-7+.
What are the key properties of 6-[(1E)-1-ethoxybuta-1,3-dienyl]-3,4-dihydro-2H-pyran?
6-[(1E)-1-ethoxybuta-1,3-dienyl]-3,4-dihydro-2H-pyran has a molecular weight of 180.25 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1E)-1-ethoxybuta-1,3-dienyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 11458036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).