ethyl (7R,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decane-7-carboxylate

C16H26O6 — CID 14108196

IUPACethyl (7R,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decane-7-carboxylate
SMILESCCOC(=O)[C@@H]1CC2(CC[C@@H]1OC1CCCCO1)OCCO2
InChIInChI=1S/C16H26O6/c1-2-18-15(17)12-11-16(20-9-10-21-16)7-6-13(12)22-14-5-3-4-8-19-14/h12-14H,2-11H2,1H3/t12-,13+,14?/m1/s1
InChIKeyBPIRYSWPXPDTPO-AMIUJLCOSA-N
MW314.38 g/mol
LogP2.00
Rot. Bonds4

About ethyl (7R,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decane-7-carboxylate

ethyl (7R,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decane-7-carboxylate (PubChem CID 14108196) has the molecular formula C16H26O6 and a molecular weight of 314.38 g/mol. Its IUPAC name is ethyl (7R,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Nameethyl (7R,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decane-7-carboxylate
PubChem CID14108196
Molecular FormulaC16H26O6
Molecular Weight314.38 g/mol
Exact Mass314.17
IUPAC Nameethyl (7R,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decane-7-carboxylate
SMILESCCOC(=O)[C@@H]1CC2(CC[C@@H]1OC1CCCCO1)OCCO2
InChIInChI=1S/C16H26O6/c1-2-18-15(17)12-11-16(20-9-10-21-16)7-6-13(12)22-14-5-3-4-8-19-14/h12-14H,2-11H2,1H3/t12-,13+,14?/m1/s1
InChIKeyBPIRYSWPXPDTPO-AMIUJLCOSA-N
XLogP2.00
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl (7R,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decane-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,6S,8R,11S)-2-(1,3-dioxolan-2-yl)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one
CID 23244058
Methyl 3-(2-tetrahydropyranyloxy)cyclohexanecarboxylate
CID 13236238
cis-propan-2-yl (1R,3S)-3-(oxan-2-yloxy)cyclohexane-1-carboxylate
CID 58951526
Propan-2-yl 3-(oxan-2-yloxy)cyclohexane-1-carboxylate
CID 72472858
ethyl (7S,8R)-8-butoxy-7-methyl-1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 117828981
(4R,6R,8R,11R)-4,11-dimethyl-4-[(2R)-oxolan-2-yl]-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-2-one
CID 10495177
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(1S)-2-oxocyclohexyl]methoxy]oxan-2-yl]methyl acetate
CID 10551834
(2S,6S,8R,11R)-2-(1,3-dioxolan-2-yl)-11-methyl-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one
CID 10590197
(2S,6R,8R,11R)-2-(1,3-dioxolan-2-yl)-11-methyl-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one
CID 10614029
(2S,6S,8R,11R)-11-methyl-2-[(2R)-oxolan-2-yl]-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one
CID 10709064
(2R,6S,8R,11R)-2-(1,3-dioxolan-2-yl)-11-methyl-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one
CID 10709199
(4R,6R,8R,11R)-4,11-dimethyl-4-[(2S)-oxolan-2-yl]-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-2-one
CID 10733761

Frequently Asked Questions

What is the IUPAC name of ethyl (7R,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decane-7-carboxylate?
The IUPAC name of ethyl (7R,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decane-7-carboxylate (CID 14108196) is ethyl (7R,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for ethyl (7R,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for ethyl (7R,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decane-7-carboxylate is CCOC(=O)[C@@H]1CC2(CC[C@@H]1OC1CCCCO1)OCCO2.
What is the InChIKey of ethyl (7R,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decane-7-carboxylate?
The InChIKey is BPIRYSWPXPDTPO-AMIUJLCOSA-N. The full InChI is InChI=1S/C16H26O6/c1-2-18-15(17)12-11-16(20-9-10-21-16)7-6-13(12)22-14-5-3-4-8-19-14/h12-14H,2-11H2,1H3/t12-,13+,14?/m1/s1.
What are the key properties of ethyl (7R,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decane-7-carboxylate?
ethyl (7R,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decane-7-carboxylate has a molecular weight of 314.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (7R,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 14108196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).