6-[(1Z)-1-ethoxy-3-methylbuta-1,3-dienyl]-4,4-dimethyl-2,3-dihydropyran

C14H22O2 — CID 171376429

IUPAC6-[(1Z)-1-ethoxy-3-methylbuta-1,3-dienyl]-4,4-dimethyl-2,3-dihydropyran
SMILESC=C(C)/C=C(\OCC)C1=CC(C)(C)CCO1
InChIInChI=1S/C14H22O2/c1-6-15-12(9-11(2)3)13-10-14(4,5)7-8-16-13/h9-10H,2,6-8H2,1,3-5H3/b12-9-
InChIKeyFMUKUKGFNHYONW-XFXZXTDPSA-N
MW222.33 g/mol
LogP3.81
Rot. Bonds4

About 6-[(1Z)-1-ethoxy-3-methylbuta-1,3-dienyl]-4,4-dimethyl-2,3-dihydropyran

6-[(1Z)-1-ethoxy-3-methylbuta-1,3-dienyl]-4,4-dimethyl-2,3-dihydropyran (PubChem CID 171376429) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 6-[(1Z)-1-ethoxy-3-methylbuta-1,3-dienyl]-4,4-dimethyl-2,3-dihydropyran.

Molecular Properties

Compound Name6-[(1Z)-1-ethoxy-3-methylbuta-1,3-dienyl]-4,4-dimethyl-2,3-dihydropyran
PubChem CID171376429
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name6-[(1Z)-1-ethoxy-3-methylbuta-1,3-dienyl]-4,4-dimethyl-2,3-dihydropyran
SMILESC=C(C)/C=C(\OCC)C1=CC(C)(C)CCO1
InChIInChI=1S/C14H22O2/c1-6-15-12(9-11(2)3)13-10-14(4,5)7-8-16-13/h9-10H,2,6-8H2,1,3-5H3/b12-9-
InChIKeyFMUKUKGFNHYONW-XFXZXTDPSA-N
XLogP3.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.81
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'}

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Related Compounds

[(1E)-1-ethoxy-3-methylbuta-1,3-dienyl]benzene
CID 10559531
[(1Z)-1-ethoxy-3-methylbuta-1,3-dienyl]-trimethylgermane
CID 101385690
6-chloro-4-ethyl-8-methyl-2,3-dihydrochromen-4-amine
CID 82194427
(3Z)-5-ethoxy-2,3-dimethylhexa-1,3,5-triene
CID 143876381
ethyl 4-amino-2,3-dihydrochromene-4-carboxylate
CID 3944354
2-ethoxy-4-methylpenta-1,3-diene
CID 90130900
ethyl 2-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate
CID 15613478
ethyl 2-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-5-yl)prop-2-enoate
CID 15613474
ethyl 4-[2-[4,4-bis(methylsulfanyl)-2,3-dihydrochromen-6-yl]ethynyl]benzoate
CID 57172062
ethyl 2-[5-[2-(4,4,7-trimethyl-2,3-dihydrochromen-6-yl)ethynyl]furan-2-yl]acetate
CID 18947738
ethyl 2-(trifluoromethyl)oxetane-2-carboxylate
CID 90345789
ethyl 3-(2-methyloxetan-2-yl)pyridine-4-carboxylate
CID 102503713

Frequently Asked Questions

What is the IUPAC name of 6-[(1Z)-1-ethoxy-3-methylbuta-1,3-dienyl]-4,4-dimethyl-2,3-dihydropyran?
The IUPAC name of 6-[(1Z)-1-ethoxy-3-methylbuta-1,3-dienyl]-4,4-dimethyl-2,3-dihydropyran (CID 171376429) is 6-[(1Z)-1-ethoxy-3-methylbuta-1,3-dienyl]-4,4-dimethyl-2,3-dihydropyran.
What is the SMILES notation for 6-[(1Z)-1-ethoxy-3-methylbuta-1,3-dienyl]-4,4-dimethyl-2,3-dihydropyran?
The canonical SMILES for 6-[(1Z)-1-ethoxy-3-methylbuta-1,3-dienyl]-4,4-dimethyl-2,3-dihydropyran is C=C(C)/C=C(\OCC)C1=CC(C)(C)CCO1.
What is the InChIKey of 6-[(1Z)-1-ethoxy-3-methylbuta-1,3-dienyl]-4,4-dimethyl-2,3-dihydropyran?
The InChIKey is FMUKUKGFNHYONW-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H22O2/c1-6-15-12(9-11(2)3)13-10-14(4,5)7-8-16-13/h9-10H,2,6-8H2,1,3-5H3/b12-9-.
What are the key properties of 6-[(1Z)-1-ethoxy-3-methylbuta-1,3-dienyl]-4,4-dimethyl-2,3-dihydropyran?
6-[(1Z)-1-ethoxy-3-methylbuta-1,3-dienyl]-4,4-dimethyl-2,3-dihydropyran has a molecular weight of 222.33 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1Z)-1-ethoxy-3-methylbuta-1,3-dienyl]-4,4-dimethyl-2,3-dihydropyran is sourced from PubChem (CID 171376429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).