8,11-dioxadispiro[3.2.47.24]tridecan-2-yl formate

C12H18O4 — CID 167108537

IUPAC8,11-dioxadispiro[3.2.47.24]tridecan-2-yl formate
SMILESO=COC1CC2(CCC3(CC2)OCCO3)C1
InChIInChI=1S/C12H18O4/c13-9-14-10-7-11(8-10)1-3-12(4-2-11)15-5-6-16-12/h9-10H,1-8H2
InChIKeyCBOPEWYOTUGHGG-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.63
Rot. Bonds2

About 8,11-dioxadispiro[3.2.47.24]tridecan-2-yl formate

8,11-dioxadispiro[3.2.47.24]tridecan-2-yl formate (PubChem CID 167108537) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 8,11-dioxadispiro[3.2.47.24]tridecan-2-yl formate.

Molecular Properties

Compound Name8,11-dioxadispiro[3.2.47.24]tridecan-2-yl formate
PubChem CID167108537
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name8,11-dioxadispiro[3.2.47.24]tridecan-2-yl formate
SMILESO=COC1CC2(CCC3(CC2)OCCO3)C1
InChIInChI=1S/C12H18O4/c13-9-14-10-7-11(8-10)1-3-12(4-2-11)15-5-6-16-12/h9-10H,1-8H2
InChIKeyCBOPEWYOTUGHGG-UHFFFAOYSA-N
XLogP1.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8,11-dioxadispiro[3.2.47.24]tridecane
CID 171769026
2-tert-butyl-8,11-dioxadispiro[3.2.47.24]tridecane
CID 171768926
(1,2,2,6,6-pentamethylpiperidin-4-yl) formate
CID 54067513
[(3S)-oxolan-3-yl] formate
CID 22868233
1,4-dioxaspiro[4.5]decan-8-one
CID 567415
1,4-dioxaspiro[4.5]decan-8-yl acetate
CID 45037040
4,9-dioxaspiro[2.6]nonane
CID 68651979
8,8-dimethyl-1,4-dioxa-8-azoniaspiro[4.5]decane iodide
CID 12872418
(2,2-dihydroxyoxathian-4-yl) formate
CID 90003084
2'-methoxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
CID 76602176
[(1R)-2,2-difluorocyclopropyl] formate
CID 174899794
6-(1,4-dioxaspiro[4.5]decan-8-yloxy)-2-(trifluoromethyl)pyrimidine-4-carbaldehyde
CID 86676920

Frequently Asked Questions

What is the IUPAC name of 8,11-dioxadispiro[3.2.47.24]tridecan-2-yl formate?
The IUPAC name of 8,11-dioxadispiro[3.2.47.24]tridecan-2-yl formate (CID 167108537) is 8,11-dioxadispiro[3.2.47.24]tridecan-2-yl formate.
What is the SMILES notation for 8,11-dioxadispiro[3.2.47.24]tridecan-2-yl formate?
The canonical SMILES for 8,11-dioxadispiro[3.2.47.24]tridecan-2-yl formate is O=COC1CC2(CCC3(CC2)OCCO3)C1.
What is the InChIKey of 8,11-dioxadispiro[3.2.47.24]tridecan-2-yl formate?
The InChIKey is CBOPEWYOTUGHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c13-9-14-10-7-11(8-10)1-3-12(4-2-11)15-5-6-16-12/h9-10H,1-8H2.
What are the key properties of 8,11-dioxadispiro[3.2.47.24]tridecan-2-yl formate?
8,11-dioxadispiro[3.2.47.24]tridecan-2-yl formate has a molecular weight of 226.27 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11-dioxadispiro[3.2.47.24]tridecan-2-yl formate is sourced from PubChem (CID 167108537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).