(3R,5Z,9R)-9-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-trimethylsilyloxy-4,7-dihydro-3H-oxonine-2,8-dione

C19H30O6Si — CID 10970991

IUPAC(3R,5Z,9R)-9-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-trimethylsilyloxy-4,7-dihydro-3H-oxonine-2,8-dione
SMILESC[Si](C)(C)O[C@@H]1C/C=C\CC(=O)[C@@H]([C@@H]2COC3(CCCCC3)O2)OC1=O
InChIInChI=1S/C19H30O6Si/c1-26(2,3)25-15-10-6-5-9-14(20)17(23-18(15)21)16-13-22-19(24-16)11-7-4-8-12-19/h5-6,15-17H,4,7-13H2,1-3H3/b6-5-/t15-,16+,17+/m1/s1
InChIKeyJCINPAKBIJALOU-FTOHCMMFSA-N
MW382.53 g/mol
LogP3.11
Rot. Bonds3

About (3R,5Z,9R)-9-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-trimethylsilyloxy-4,7-dihydro-3H-oxonine-2,8-dione

(3R,5Z,9R)-9-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-trimethylsilyloxy-4,7-dihydro-3H-oxonine-2,8-dione (PubChem CID 10970991) has the molecular formula C19H30O6Si and a molecular weight of 382.53 g/mol. Its IUPAC name is (3R,5Z,9R)-9-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-trimethylsilyloxy-4,7-dihydro-3H-oxonine-2,8-dione.

Molecular Properties

Compound Name(3R,5Z,9R)-9-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-trimethylsilyloxy-4,7-dihydro-3H-oxonine-2,8-dione
PubChem CID10970991
Molecular FormulaC19H30O6Si
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC Name(3R,5Z,9R)-9-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-trimethylsilyloxy-4,7-dihydro-3H-oxonine-2,8-dione
SMILESC[Si](C)(C)O[C@@H]1C/C=C\CC(=O)[C@@H]([C@@H]2COC3(CCCCC3)O2)OC1=O
InChIInChI=1S/C19H30O6Si/c1-26(2,3)25-15-10-6-5-9-14(20)17(23-18(15)21)16-13-22-19(24-16)11-7-4-8-12-19/h5-6,15-17H,4,7-13H2,1-3H3/b6-5-/t15-,16+,17+/m1/s1
InChIKeyJCINPAKBIJALOU-FTOHCMMFSA-N
XLogP3.11
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5Z,9R)-9-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-4,7-dihydrooxonine-2,3,8-trione
CID 11098875
(3R,5Z,9R)-9-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-hydroxy-4,7-dihydro-3H-oxonine-2,8-dione
CID 11120458

Frequently Asked Questions

What is the IUPAC name of (3R,5Z,9R)-9-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-trimethylsilyloxy-4,7-dihydro-3H-oxonine-2,8-dione?
The IUPAC name of (3R,5Z,9R)-9-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-trimethylsilyloxy-4,7-dihydro-3H-oxonine-2,8-dione (CID 10970991) is (3R,5Z,9R)-9-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-trimethylsilyloxy-4,7-dihydro-3H-oxonine-2,8-dione.
What is the SMILES notation for (3R,5Z,9R)-9-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-trimethylsilyloxy-4,7-dihydro-3H-oxonine-2,8-dione?
The canonical SMILES for (3R,5Z,9R)-9-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-trimethylsilyloxy-4,7-dihydro-3H-oxonine-2,8-dione is C[Si](C)(C)O[C@@H]1C/C=C\CC(=O)[C@@H]([C@@H]2COC3(CCCCC3)O2)OC1=O.
What is the InChIKey of (3R,5Z,9R)-9-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-trimethylsilyloxy-4,7-dihydro-3H-oxonine-2,8-dione?
The InChIKey is JCINPAKBIJALOU-FTOHCMMFSA-N. The full InChI is InChI=1S/C19H30O6Si/c1-26(2,3)25-15-10-6-5-9-14(20)17(23-18(15)21)16-13-22-19(24-16)11-7-4-8-12-19/h5-6,15-17H,4,7-13H2,1-3H3/b6-5-/t15-,16+,17+/m1/s1.
What are the key properties of (3R,5Z,9R)-9-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-trimethylsilyloxy-4,7-dihydro-3H-oxonine-2,8-dione?
(3R,5Z,9R)-9-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-trimethylsilyloxy-4,7-dihydro-3H-oxonine-2,8-dione has a molecular weight of 382.53 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5Z,9R)-9-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-trimethylsilyloxy-4,7-dihydro-3H-oxonine-2,8-dione is sourced from PubChem (CID 10970991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).