methyl (5R,7S)-1,6-dioxaspiro[4.5]decane-7-carboxylate

C10H16O4 — CID 15946863

IUPACmethyl (5R,7S)-1,6-dioxaspiro[4.5]decane-7-carboxylate
SMILESCOC(=O)[C@@H]1CCC[C@]2(CCCO2)O1
InChIInChI=1S/C10H16O4/c1-12-9(11)8-4-2-5-10(14-8)6-3-7-13-10/h8H,2-7H2,1H3/t8-,10+/m0/s1
InChIKeyBKFSOWDSZFMYQT-WCBMZHEXSA-N
MW200.23 g/mol
LogP1.24
Rot. Bonds1

About methyl (5R,7S)-1,6-dioxaspiro[4.5]decane-7-carboxylate

methyl (5R,7S)-1,6-dioxaspiro[4.5]decane-7-carboxylate (PubChem CID 15946863) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl (5R,7S)-1,6-dioxaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Namemethyl (5R,7S)-1,6-dioxaspiro[4.5]decane-7-carboxylate
PubChem CID15946863
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl (5R,7S)-1,6-dioxaspiro[4.5]decane-7-carboxylate
SMILESCOC(=O)[C@@H]1CCC[C@]2(CCCO2)O1
InChIInChI=1S/C10H16O4/c1-12-9(11)8-4-2-5-10(14-8)6-3-7-13-10/h8H,2-7H2,1H3/t8-,10+/m0/s1
InChIKeyBKFSOWDSZFMYQT-WCBMZHEXSA-N
XLogP1.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 5-(3-Methoxy-3-oxopropyl)tetrahydrofuran-2-carboxylate
CID 44632342
methyl (2S,4R,5R,6R)-2,4-diacetyloxy-6-[(1R)-1,2-diacetyloxyethyl]-5-fluorooxane-2-carboxylate
CID 140373576
(2R,4S,6S)-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-propoxyoxane-2-carboxylic acid
CID 70680243
Ethyl 2-(6,8-dioxabicyclo[3.2.1]octan-5-yl)acetate
CID 14101474
methyl (2R,6R)-6-ethyl-2-hydroxyoxane-2-carboxylate
CID 102124216
2-Nonanoyloxy-propionic acid tetrahydrofurfuryl ester
CID 129658843
2-Heptanoyloxy-propionic acid tetrahydrofurfuryl ester
CID 129659676
ethyl (3aR,4R,6R,7aR)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-carboxylate
CID 134845413
(1S,6S,12R)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadecan-4-one
CID 134858310
Ethyl 5-(3-ethoxy-3-oxopropyl)oxolane-2-carboxylate
CID 135014378
(2R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,4-dimethoxyoxane-2-carbaldehyde
CID 139249789
5-Ethyl-2-methoxy-tetrahydro-furan-2-carboxylic acid methyl ester
CID 13052824

Frequently Asked Questions

What is the IUPAC name of methyl (5R,7S)-1,6-dioxaspiro[4.5]decane-7-carboxylate?
The IUPAC name of methyl (5R,7S)-1,6-dioxaspiro[4.5]decane-7-carboxylate (CID 15946863) is methyl (5R,7S)-1,6-dioxaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for methyl (5R,7S)-1,6-dioxaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for methyl (5R,7S)-1,6-dioxaspiro[4.5]decane-7-carboxylate is COC(=O)[C@@H]1CCC[C@]2(CCCO2)O1.
What is the InChIKey of methyl (5R,7S)-1,6-dioxaspiro[4.5]decane-7-carboxylate?
The InChIKey is BKFSOWDSZFMYQT-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H16O4/c1-12-9(11)8-4-2-5-10(14-8)6-3-7-13-10/h8H,2-7H2,1H3/t8-,10+/m0/s1.
What are the key properties of methyl (5R,7S)-1,6-dioxaspiro[4.5]decane-7-carboxylate?
methyl (5R,7S)-1,6-dioxaspiro[4.5]decane-7-carboxylate has a molecular weight of 200.23 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R,7S)-1,6-dioxaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 15946863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).