ethyl 2-(2-hydroxypropan-2-yl)-5-methylnona-3,4-dienoate

C15H26O3 — CID 15681089

IUPACethyl 2-(2-hydroxypropan-2-yl)-5-methylnona-3,4-dienoate
SMILESCCCCC(C)=C=CC(C(=O)OCC)C(C)(C)O
InChIInChI=1S/C15H26O3/c1-6-8-9-12(3)10-11-13(15(4,5)17)14(16)18-7-2/h11,13,17H,6-9H2,1-5H3
InChIKeySDUDZDDLCQDAJY-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.23
Rot. Bonds7

About ethyl 2-(2-hydroxypropan-2-yl)-5-methylnona-3,4-dienoate

ethyl 2-(2-hydroxypropan-2-yl)-5-methylnona-3,4-dienoate (PubChem CID 15681089) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is ethyl 2-(2-hydroxypropan-2-yl)-5-methylnona-3,4-dienoate.

Molecular Properties

Compound Nameethyl 2-(2-hydroxypropan-2-yl)-5-methylnona-3,4-dienoate
PubChem CID15681089
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Nameethyl 2-(2-hydroxypropan-2-yl)-5-methylnona-3,4-dienoate
SMILESCCCCC(C)=C=CC(C(=O)OCC)C(C)(C)O
InChIInChI=1S/C15H26O3/c1-6-8-9-12(3)10-11-13(15(4,5)17)14(16)18-7-2/h11,13,17H,6-9H2,1-5H3
InChIKeySDUDZDDLCQDAJY-UHFFFAOYSA-N
XLogP3.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-(1-hydroxy-1-methylethyl)-3-butenoate
CID 11819482
Ethyl 2-(2-hydroxypropan-2-yl)-5,6,6-trimethylhepta-3,4-dienoate
CID 14967443
Ethyl 2-(1-hydroxyprop-2-enyl)-5-methylnona-3,4-dienoate
CID 15681088
Ethyl 2-(2-hydroxypropan-2-yl)-2,5-dimethylnona-3,4-dienoate
CID 134916314
Ethyl 2-(2-hydroxypropan-2-yl)-2,5,6,6-tetramethylhepta-3,4-dienoate
CID 134988209
Ethyl 2-(2-hydroxypropan-2-yl)-3-methylbut-3-enoate
CID 185865
3-(1-Isopropyl-but-3-enyloxy)-butyric acid
CID 560138
(3R)-3-[(3S)-2-methylhex-5-en-3-yl]oxybutanoic acid
CID 13741793
Tert-butyl 2-(1-hydroxyethyl)but-3-enoate
CID 23372206
Ethyl 2-ethyl-3-hydroxy-3-methylpent-4-enoate
CID 66038589
Ethyl 3-hydroxy-3-methyl-2-propan-2-ylpent-4-enoate
CID 66039550
Ethyl 3-hydroxy-2,3-dimethylpent-4-enoate
CID 71327633

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-hydroxypropan-2-yl)-5-methylnona-3,4-dienoate?
The IUPAC name of ethyl 2-(2-hydroxypropan-2-yl)-5-methylnona-3,4-dienoate (CID 15681089) is ethyl 2-(2-hydroxypropan-2-yl)-5-methylnona-3,4-dienoate.
What is the SMILES notation for ethyl 2-(2-hydroxypropan-2-yl)-5-methylnona-3,4-dienoate?
The canonical SMILES for ethyl 2-(2-hydroxypropan-2-yl)-5-methylnona-3,4-dienoate is CCCCC(C)=C=CC(C(=O)OCC)C(C)(C)O.
What is the InChIKey of ethyl 2-(2-hydroxypropan-2-yl)-5-methylnona-3,4-dienoate?
The InChIKey is SDUDZDDLCQDAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-6-8-9-12(3)10-11-13(15(4,5)17)14(16)18-7-2/h11,13,17H,6-9H2,1-5H3.
What are the key properties of ethyl 2-(2-hydroxypropan-2-yl)-5-methylnona-3,4-dienoate?
ethyl 2-(2-hydroxypropan-2-yl)-5-methylnona-3,4-dienoate has a molecular weight of 254.37 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-hydroxypropan-2-yl)-5-methylnona-3,4-dienoate is sourced from PubChem (CID 15681089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).