(1S,5S)-7,7-dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid

C15H20O5 — CID 101237341

IUPAC(1S,5S)-7,7-dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid
SMILESO=C(O)[C@]12CCC[C@](C(=O)O)(C1)C(C1CC1)(C1CC1)O2
InChIInChI=1S/C15H20O5/c16-11(17)13-6-1-7-14(8-13,12(18)19)20-15(13,9-2-3-9)10-4-5-10/h9-10H,1-8H2,(H,16,17)(H,18,19)/t13-,14+/m1/s1
InChIKeyOPDWXXQMMXPZLA-KGLIPLIRSA-N
MW280.32 g/mol
LogP2.04
Rot. Bonds4

About (1S,5S)-7,7-dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid

(1S,5S)-7,7-dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid (PubChem CID 101237341) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is (1S,5S)-7,7-dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid.

Molecular Properties

Compound Name(1S,5S)-7,7-dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid
PubChem CID101237341
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name(1S,5S)-7,7-dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid
SMILESO=C(O)[C@]12CCC[C@](C(=O)O)(C1)C(C1CC1)(C1CC1)O2
InChIInChI=1S/C15H20O5/c16-11(17)13-6-1-7-14(8-13,12(18)19)20-15(13,9-2-3-9)10-4-5-10/h9-10H,1-8H2,(H,16,17)(H,18,19)/t13-,14+/m1/s1
InChIKeyOPDWXXQMMXPZLA-KGLIPLIRSA-N
XLogP2.04
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,5R)-7,7-dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid;hydrate
CID 139040009
(1R,5R)-7,7-diethyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid;hydrate
CID 139040011
(1R,5R)-7,7-dicyclopropyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxylic acid
CID 139120343
7,7-Dipropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid
CID 86216809
7,7-Di(propan-2-yl)-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid
CID 86216811
7,7-Diethyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid
CID 86216813
7,7-Dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid
CID 86216816
7,7-Dimethyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid
CID 86216817
(1S,5S)-7,7-dipropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid
CID 101237336
(1S,5S)-spiro[6-oxabicyclo[3.2.1]octane-7,4'-oxane]-1,5-dicarboxylic acid
CID 101237337
(1S,5S)-7,7-di(propan-2-yl)-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid
CID 101237339
(1S,5S)-7,7-dimethyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid
CID 101237340

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-7,7-dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid?
The IUPAC name of (1S,5S)-7,7-dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid (CID 101237341) is (1S,5S)-7,7-dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid.
What is the SMILES notation for (1S,5S)-7,7-dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid?
The canonical SMILES for (1S,5S)-7,7-dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid is O=C(O)[C@]12CCC[C@](C(=O)O)(C1)C(C1CC1)(C1CC1)O2.
What is the InChIKey of (1S,5S)-7,7-dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid?
The InChIKey is OPDWXXQMMXPZLA-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H20O5/c16-11(17)13-6-1-7-14(8-13,12(18)19)20-15(13,9-2-3-9)10-4-5-10/h9-10H,1-8H2,(H,16,17)(H,18,19)/t13-,14+/m1/s1.
What are the key properties of (1S,5S)-7,7-dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid?
(1S,5S)-7,7-dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-7,7-dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid is sourced from PubChem (CID 101237341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).