ethyl 5-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)pentanoate

C15H24O4 — CID 13213607

IUPACethyl 5-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)pentanoate
SMILESCCOC(=O)CCCCC1C=CC2(CC1)OCCO2
InChIInChI=1S/C15H24O4/c1-2-17-14(16)6-4-3-5-13-7-9-15(10-8-13)18-11-12-19-15/h7,9,13H,2-6,8,10-12H2,1H3
InChIKeyAAQMZOCFFJWABW-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.82
Rot. Bonds6

About ethyl 5-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)pentanoate

ethyl 5-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)pentanoate (PubChem CID 13213607) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is ethyl 5-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)pentanoate.

Molecular Properties

Compound Nameethyl 5-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)pentanoate
PubChem CID13213607
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Nameethyl 5-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)pentanoate
SMILESCCOC(=O)CCCCC1C=CC2(CC1)OCCO2
InChIInChI=1S/C15H24O4/c1-2-17-14(16)6-4-3-5-13-7-9-15(10-8-13)18-11-12-19-15/h7,9,13H,2-6,8,10-12H2,1H3
InChIKeyAAQMZOCFFJWABW-UHFFFAOYSA-N
XLogP2.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pentyl 2-(8-fluoro-1,4-dioxaspiro[4.5]dec-6-en-8-yl)-2-methylpropanoate
CID 157620310
[(E)-3-(1,4-dioxaspiro[4.5]decan-6-yl)prop-2-enyl] acetate
CID 11447820
Prop-2-enyl 6-(1,3-dioxolan-2-yl)-4-oxo-2-prop-2-enylhexanoate
CID 135070668
4-(1,4-Dioxaspiro[4.4]non-8-en-7-yl)butanal
CID 10943413
Methyl 11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-diene-7-carboxylate
CID 11266763
methyl 4-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]butanoate
CID 71813292
methyl 5-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]pentanoate
CID 71813624
methyl (E)-11-(1,3-dioxolan-2-yl)undec-10-enoate
CID 12940610
[2-Methyl-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-1,3-dioxolan-4-yl]methyl dodecanoate
CID 20657663
ethyl 7-[(1R,5R)-5-(3,3-diethoxyoct-1-enyl)-2,2-diethoxycyclopentyl]heptanoate
CID 53828974
ethyl 7-[(8R,9R)-8-[2-(2-pentyl-1,3-dioxolan-2-yl)ethenyl]-1,4-dioxaspiro[4.4]nonan-9-yl]heptanoate
CID 54016752
methyl 7-[(8R,9R)-8-[2-(2-pentyl-1,3-dioxolan-2-yl)ethenyl]-1,4-dioxaspiro[4.4]nonan-9-yl]heptanoate
CID 54280641

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)pentanoate?
The IUPAC name of ethyl 5-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)pentanoate (CID 13213607) is ethyl 5-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)pentanoate.
What is the SMILES notation for ethyl 5-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)pentanoate?
The canonical SMILES for ethyl 5-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)pentanoate is CCOC(=O)CCCCC1C=CC2(CC1)OCCO2.
What is the InChIKey of ethyl 5-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)pentanoate?
The InChIKey is AAQMZOCFFJWABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-2-17-14(16)6-4-3-5-13-7-9-15(10-8-13)18-11-12-19-15/h7,9,13H,2-6,8,10-12H2,1H3.
What are the key properties of ethyl 5-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)pentanoate?
ethyl 5-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)pentanoate has a molecular weight of 268.35 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)pentanoate is sourced from PubChem (CID 13213607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).