1,4-dioxaspiro[4.5]decan-8-yl cyclohexene-1-carboxylate

C15H22O4 — CID 75511359

IUPAC1,4-dioxaspiro[4.5]decan-8-yl cyclohexene-1-carboxylate
SMILESO=C(OC1CCC2(CC1)OCCO2)C1=CCCCC1
InChIInChI=1S/C15H22O4/c16-14(12-4-2-1-3-5-12)19-13-6-8-15(9-7-13)17-10-11-18-15/h4,13H,1-3,5-11H2
InChIKeyGNESXRUGNYHCJP-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.72
Rot. Bonds2

About 1,4-dioxaspiro[4.5]decan-8-yl cyclohexene-1-carboxylate

1,4-dioxaspiro[4.5]decan-8-yl cyclohexene-1-carboxylate (PubChem CID 75511359) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.5]decan-8-yl cyclohexene-1-carboxylate.

Molecular Properties

Compound Name1,4-dioxaspiro[4.5]decan-8-yl cyclohexene-1-carboxylate
PubChem CID75511359
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name1,4-dioxaspiro[4.5]decan-8-yl cyclohexene-1-carboxylate
SMILESO=C(OC1CCC2(CC1)OCCO2)C1=CCCCC1
InChIInChI=1S/C15H22O4/c16-14(12-4-2-1-3-5-12)19-13-6-8-15(9-7-13)17-10-11-18-15/h4,13H,1-3,5-11H2
InChIKeyGNESXRUGNYHCJP-UHFFFAOYSA-N
XLogP2.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxaspiro[4.5]decan-8-yl cyclohexene-1-carboxylate?
The IUPAC name of 1,4-dioxaspiro[4.5]decan-8-yl cyclohexene-1-carboxylate (CID 75511359) is 1,4-dioxaspiro[4.5]decan-8-yl cyclohexene-1-carboxylate.
What is the SMILES notation for 1,4-dioxaspiro[4.5]decan-8-yl cyclohexene-1-carboxylate?
The canonical SMILES for 1,4-dioxaspiro[4.5]decan-8-yl cyclohexene-1-carboxylate is O=C(OC1CCC2(CC1)OCCO2)C1=CCCCC1.
What is the InChIKey of 1,4-dioxaspiro[4.5]decan-8-yl cyclohexene-1-carboxylate?
The InChIKey is GNESXRUGNYHCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c16-14(12-4-2-1-3-5-12)19-13-6-8-15(9-7-13)17-10-11-18-15/h4,13H,1-3,5-11H2.
What are the key properties of 1,4-dioxaspiro[4.5]decan-8-yl cyclohexene-1-carboxylate?
1,4-dioxaspiro[4.5]decan-8-yl cyclohexene-1-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxaspiro[4.5]decan-8-yl cyclohexene-1-carboxylate is sourced from PubChem (CID 75511359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).