ethyl (5R,7R)-4,8-dioxadispiro[4.1.47.35]tetradecane-13-carboxylate

C15H24O4 — CID 15833866

IUPACethyl (5R,7R)-4,8-dioxadispiro[4.1.47.35]tetradecane-13-carboxylate
SMILESCCOC(=O)C1C[C@]2(CCCO2)C[C@@]2(CCCO2)C1
InChIInChI=1S/C15H24O4/c1-2-17-13(16)12-9-14(5-3-7-18-14)11-15(10-12)6-4-8-19-15/h12H,2-11H2,1H3/t14-,15-/m1/s1
InChIKeyGNNJULTXUFGIHJ-HUUCEWRRSA-N
MW268.35 g/mol
LogP2.45
Rot. Bonds2

About ethyl (5R,7R)-4,8-dioxadispiro[4.1.47.35]tetradecane-13-carboxylate

ethyl (5R,7R)-4,8-dioxadispiro[4.1.47.35]tetradecane-13-carboxylate (PubChem CID 15833866) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is ethyl (5R,7R)-4,8-dioxadispiro[4.1.47.35]tetradecane-13-carboxylate.

Molecular Properties

Compound Nameethyl (5R,7R)-4,8-dioxadispiro[4.1.47.35]tetradecane-13-carboxylate
PubChem CID15833866
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Nameethyl (5R,7R)-4,8-dioxadispiro[4.1.47.35]tetradecane-13-carboxylate
SMILESCCOC(=O)C1C[C@]2(CCCO2)C[C@@]2(CCCO2)C1
InChIInChI=1S/C15H24O4/c1-2-17-13(16)12-9-14(5-3-7-18-14)11-15(10-12)6-4-8-19-15/h12H,2-11H2,1H3/t14-,15-/m1/s1
InChIKeyGNNJULTXUFGIHJ-HUUCEWRRSA-N
XLogP2.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-oxaspiro[4.5]decane-7-carboxylate
CID 70215305
ethyl 5,8-dioxaspiro[3.4]octane-2-carboxylate
CID 86713762
ethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate
CID 79920218
ethyl (4S,6R)-1,7-dioxaspiro[5.5]undecane-4-carboxylate
CID 101378578
ethyl spiro[8-azabicyclo[3.2.1]octane-3,2'-oxolane]-8-carboxylate
CID 154702888
ethyl 2-(1-oxaspiro[4.5]decan-8-yl)acetate
CID 69067707
5-oxaspiro[3.4]octane-2-carboxylic acid
CID 56962178
ethyl 4-(1-oxaspiro[5.5]undecan-4-ylamino)butanoate
CID 79904131
(1-ethoxycyclopentyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 116747768
(1-ethoxycyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116748384
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
ethyl 2-(6-oxaspiro[4.5]decan-9-ylamino)acetate
CID 79895269

Frequently Asked Questions

What is the IUPAC name of ethyl (5R,7R)-4,8-dioxadispiro[4.1.47.35]tetradecane-13-carboxylate?
The IUPAC name of ethyl (5R,7R)-4,8-dioxadispiro[4.1.47.35]tetradecane-13-carboxylate (CID 15833866) is ethyl (5R,7R)-4,8-dioxadispiro[4.1.47.35]tetradecane-13-carboxylate.
What is the SMILES notation for ethyl (5R,7R)-4,8-dioxadispiro[4.1.47.35]tetradecane-13-carboxylate?
The canonical SMILES for ethyl (5R,7R)-4,8-dioxadispiro[4.1.47.35]tetradecane-13-carboxylate is CCOC(=O)C1C[C@]2(CCCO2)C[C@@]2(CCCO2)C1.
What is the InChIKey of ethyl (5R,7R)-4,8-dioxadispiro[4.1.47.35]tetradecane-13-carboxylate?
The InChIKey is GNNJULTXUFGIHJ-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H24O4/c1-2-17-13(16)12-9-14(5-3-7-18-14)11-15(10-12)6-4-8-19-15/h12H,2-11H2,1H3/t14-,15-/m1/s1.
What are the key properties of ethyl (5R,7R)-4,8-dioxadispiro[4.1.47.35]tetradecane-13-carboxylate?
ethyl (5R,7R)-4,8-dioxadispiro[4.1.47.35]tetradecane-13-carboxylate has a molecular weight of 268.35 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5R,7R)-4,8-dioxadispiro[4.1.47.35]tetradecane-13-carboxylate is sourced from PubChem (CID 15833866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).