2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate

C10H13O4- — CID 18476081

IUPAC2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate
SMILESO=C([O-])C=C1CCC2(CC1)OCCO2
InChIInChI=1S/C10H14O4/c11-9(12)7-8-1-3-10(4-2-8)13-5-6-14-10/h7H,1-6H2,(H,11,12)/p-1
InChIKeyBIVITDRRVUSHJW-UHFFFAOYSA-M
MW197.21 g/mol
LogP-0.02
Rot. Bonds1

About 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate

2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate (PubChem CID 18476081) has the molecular formula C10H13O4- and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate
PubChem CID18476081
Molecular FormulaC10H13O4-
Molecular Weight197.21 g/mol
Exact Mass197.08
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate
SMILESO=C([O-])C=C1CCC2(CC1)OCCO2
InChIInChI=1S/C10H14O4/c11-9(12)7-8-1-3-10(4-2-8)13-5-6-14-10/h7H,1-6H2,(H,11,12)/p-1
InChIKeyBIVITDRRVUSHJW-UHFFFAOYSA-M
XLogP-0.02
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Acetic acid, 2-(1,4-dioxaspiro(4.5)dec-8-ylidene)-, ethyl ester
CID 373318
Fluoro 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate
CID 143317445
Ethyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)-2-fluoroacetate
CID 163240178
2-(3-Fluoro-1,4-dioxaspiro[4.5]decan-8-ylidene)acetic acid
CID 175459011
ethyl (E)-5-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]pent-2-enoate
CID 101549962
(6s)-6-[(2r)-1,4-Dioxaspiro[4.5]dec-2-yl]-4-methyl-5,6-dihydro-2h-pyran-2-one
CID 175672810
2-(1,4-Dioxaspiro[4.5]decan-8-ylidene)-2-fluoroacetic acid
CID 103546340
2-(3-Methyl-1,4-dioxaspiro[4.5]decan-8-ylidene)acetic acid
CID 326126
2-(1,4-Dioxaspiro[4.5]decan-8-ylidene)acetaldehyde
CID 10943093
2-(1,4-Dioxaspiro[4.5]decan-8-ylidene)ethyl acetate
CID 11031548
Methyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate
CID 11063747
Ethyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)propanoate
CID 15602021

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate (CID 18476081) is 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate is O=C([O-])C=C1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate?
The InChIKey is BIVITDRRVUSHJW-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H14O4/c11-9(12)7-8-1-3-10(4-2-8)13-5-6-14-10/h7H,1-6H2,(H,11,12)/p-1.
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate?
2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate has a molecular weight of 197.21 g/mol, XLogP of -0.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate is sourced from PubChem (CID 18476081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).