ethyl (7R,8S)-8-hydroxy-1,4-dioxaspiro[4.5]decane-7-carboxylate

C11H18O5 — CID 11458870

IUPACethyl (7R,8S)-8-hydroxy-1,4-dioxaspiro[4.5]decane-7-carboxylate
SMILESCCOC(=O)[C@@H]1CC2(CC[C@@H]1O)OCCO2
InChIInChI=1S/C11H18O5/c1-2-14-10(13)8-7-11(4-3-9(8)12)15-5-6-16-11/h8-9,12H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyKOBMUFRWQDWSHI-BDAKNGLRSA-N
MW230.26 g/mol
LogP0.45
Rot. Bonds2

About ethyl (7R,8S)-8-hydroxy-1,4-dioxaspiro[4.5]decane-7-carboxylate

ethyl (7R,8S)-8-hydroxy-1,4-dioxaspiro[4.5]decane-7-carboxylate (PubChem CID 11458870) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is ethyl (7R,8S)-8-hydroxy-1,4-dioxaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Nameethyl (7R,8S)-8-hydroxy-1,4-dioxaspiro[4.5]decane-7-carboxylate
PubChem CID11458870
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Nameethyl (7R,8S)-8-hydroxy-1,4-dioxaspiro[4.5]decane-7-carboxylate
SMILESCCOC(=O)[C@@H]1CC2(CC[C@@H]1O)OCCO2
InChIInChI=1S/C11H18O5/c1-2-14-10(13)8-7-11(4-3-9(8)12)15-5-6-16-11/h8-9,12H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyKOBMUFRWQDWSHI-BDAKNGLRSA-N
XLogP0.45
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-Dioxaspiro[4.5]decane-6-carboxylic acid
CID 322629
1,4-Dioxaspiro[4.5]decane-7-carboxylic acid
CID 567492
Ethyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 559688
1,4-Dioxaspiro[4.5]decane-6-acetic acid
CID 10943501
ethyl (6S,7S,8R)-7,8-dihydroxy-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 11299578
methyl (5S,6R,8R)-8-hydroxy-7,7-dimethoxy-2,2-dimethyl-1,3-dioxaspiro[4.5]decane-6-carboxylate
CID 134974627
1,4-Dioxaspiro[4.5]decan-8-one, 7-(hydroxymethyl)-
CID 567228
cis--1,4-Dioxaspiro[4.5]decane-7-carboxylic acid, 8-hydroxy-8-(2-(methoxycarbonyl)ethyl)-, methyl ester
CID 567347
1,4-Dioxaspiro[4.5]decane-7-carboxylic acid, 8-hydroxy-, ethyl ester
CID 567364
(3aR,4R,7aS)-4-hydroxy-7,7-dimethoxy-3,3a,4,5,6,7a-hexahydro-2-benzofuran-1-one
CID 638813
4-Hydroxy-7,7-dimethoxy-3,3a,4,5,6,7a-hexahydro-2-benzofuran-1-one
CID 15144049
Diethyl 2,5-dihydroxycyclohexane-1,4-dicarboxylate
CID 249634

Frequently Asked Questions

What is the IUPAC name of ethyl (7R,8S)-8-hydroxy-1,4-dioxaspiro[4.5]decane-7-carboxylate?
The IUPAC name of ethyl (7R,8S)-8-hydroxy-1,4-dioxaspiro[4.5]decane-7-carboxylate (CID 11458870) is ethyl (7R,8S)-8-hydroxy-1,4-dioxaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for ethyl (7R,8S)-8-hydroxy-1,4-dioxaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for ethyl (7R,8S)-8-hydroxy-1,4-dioxaspiro[4.5]decane-7-carboxylate is CCOC(=O)[C@@H]1CC2(CC[C@@H]1O)OCCO2.
What is the InChIKey of ethyl (7R,8S)-8-hydroxy-1,4-dioxaspiro[4.5]decane-7-carboxylate?
The InChIKey is KOBMUFRWQDWSHI-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H18O5/c1-2-14-10(13)8-7-11(4-3-9(8)12)15-5-6-16-11/h8-9,12H,2-7H2,1H3/t8-,9+/m1/s1.
What are the key properties of ethyl (7R,8S)-8-hydroxy-1,4-dioxaspiro[4.5]decane-7-carboxylate?
ethyl (7R,8S)-8-hydroxy-1,4-dioxaspiro[4.5]decane-7-carboxylate has a molecular weight of 230.26 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (7R,8S)-8-hydroxy-1,4-dioxaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 11458870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).