ethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene

C14H24O4 — CID 171648820

IUPACethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene
SMILESC=CC.CCOC(=O)C1CCCCC12OCCO2
InChIInChI=1S/C11H18O4.C3H6/c1-2-13-10(12)9-5-3-4-6-11(9)14-7-8-15-11;1-3-2/h9H,2-8H2,1H3;3H,1H2,2H3
InChIKeyMNXWCKKLZVMUDJ-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.68
Rot. Bonds2

About ethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene

ethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene (PubChem CID 171648820) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is ethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene.

Molecular Properties

Compound Nameethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene
PubChem CID171648820
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Nameethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene
SMILESC=CC.CCOC(=O)C1CCCCC12OCCO2
InChIInChI=1S/C11H18O4.C3H6/c1-2-13-10(12)9-5-3-4-6-11(9)14-7-8-15-11;1-3-2/h9H,2-8H2,1H3;3H,1H2,2H3
InChIKeyMNXWCKKLZVMUDJ-UHFFFAOYSA-N
XLogP2.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.68
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

Ethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 336004
Ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 10858014
Methyl 1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 12869104
Ethyl (R)-6-Allyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 168850829
Methyl 8-(oxomethylidene)-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 177931330
propan-2-yl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 178105165
methyl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 178106277
(6S)-1,4-dioxaspiro[4.5]decane-6-carboxylic acid;prop-1-ene
CID 178106283
Methyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene
CID 178106465
Ethane;methyl 6-pent-4-enoxy-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 178106604
Methyl 6-pent-4-enoxy-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 178106605
1,4-Dioxaspiro[4.5]decane-6-carboxylic acid;prop-1-ene
CID 178107409

Frequently Asked Questions

What is the IUPAC name of ethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene?
The IUPAC name of ethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene (CID 171648820) is ethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene.
What is the SMILES notation for ethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene?
The canonical SMILES for ethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene is C=CC.CCOC(=O)C1CCCCC12OCCO2.
What is the InChIKey of ethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene?
The InChIKey is MNXWCKKLZVMUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4.C3H6/c1-2-13-10(12)9-5-3-4-6-11(9)14-7-8-15-11;1-3-2/h9H,2-8H2,1H3;3H,1H2,2H3.
What are the key properties of ethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene?
ethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene has a molecular weight of 256.34 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene is sourced from PubChem (CID 171648820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).