ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate

C15H24O4 — CID 171775785

IUPACethyl (E)-5-(1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate
SMILESCCOC(=O)CC/C=C/C1CCC2(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/h3,5,13H,2,4,6-12H2,1H3/b5-3+
InChIKeyWEMXORPJHQFWQP-HWKANZROSA-N
MW268.35 g/mol
LogP2.82
Rot. Bonds5

About ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate

ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate (PubChem CID 171775785) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate.

Molecular Properties

Compound Nameethyl (E)-5-(1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate
PubChem CID171775785
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Nameethyl (E)-5-(1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate
SMILESCCOC(=O)CC/C=C/C1CCC2(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/h3,5,13H,2,4,6-12H2,1H3/b5-3+
InChIKeyWEMXORPJHQFWQP-HWKANZROSA-N
XLogP2.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(E)-3-(1,4-dioxaspiro[4.5]decan-6-yl)prop-2-enyl] acetate
CID 11447820
Ethyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate
CID 11789092
8-(2-Ethylbut-1-enyl)-1,4-dioxaspiro[4.5]decane
CID 57626675
8-[(Z)-but-2-enyl]-1,4-dioxaspiro[4.5]decane
CID 57626706
Ethyl 3-(1,4-Dioxaspiro[4.5]decan-8-yl)acrylate
CID 57904170
8-But-2-enyl-1,4-dioxaspiro[4.5]decane
CID 68461167
Ethyl 3-{1,4-dioxaspiro[4.5]decan-8-yl}prop-2-enoate
CID 76637550
8-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decane
CID 89140701
methyl (3Z)-3-[(8R)-8-butyl-1,4-dioxaspiro[4.5]decan-7-ylidene]propanoate
CID 146750490
(E)-4-(1,4-dioxaspiro[4.5]decan-8-yl)but-3-en-2-one
CID 170190125
ethyl (E)-4-(1,4-dioxaspiro[4.5]decan-8-yl)but-2-enoate
CID 171775820
4-(1,4-Dioxaspiro[4.5]decan-8-yl)but-3-en-2-one
CID 175932354

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate?
The IUPAC name of ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate (CID 171775785) is ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate.
What is the SMILES notation for ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate?
The canonical SMILES for ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate is CCOC(=O)CC/C=C/C1CCC2(CC1)OCCO2.
What is the InChIKey of ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate?
The InChIKey is WEMXORPJHQFWQP-HWKANZROSA-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/h3,5,13H,2,4,6-12H2,1H3/b5-3+.
What are the key properties of ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate?
ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate has a molecular weight of 268.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate is sourced from PubChem (CID 171775785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).