(2S)-2-[(3R,4R)-3-methyl-1-oxa-5-silaspiro[4.5]decan-4-yl]propanal

C12H22O2Si — CID 11775890

IUPAC(2S)-2-[(3R,4R)-3-methyl-1-oxa-5-silaspiro[4.5]decan-4-yl]propanal
SMILESC[C@@H]1CO[Si]2(CCCCC2)[C@H]1[C@@H](C)C=O
InChIInChI=1S/C12H22O2Si/c1-10(8-13)12-11(2)9-14-15(12)6-4-3-5-7-15/h8,10-12H,3-7,9H2,1-2H3/t10-,11+,12-/m0/s1
InChIKeyKDVPFCRNEDWEBL-TUAOUCFPSA-N
MW226.39 g/mol
LogP2.99
Rot. Bonds2

About (2S)-2-[(3R,4R)-3-methyl-1-oxa-5-silaspiro[4.5]decan-4-yl]propanal

(2S)-2-[(3R,4R)-3-methyl-1-oxa-5-silaspiro[4.5]decan-4-yl]propanal (PubChem CID 11775890) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is (2S)-2-[(3R,4R)-3-methyl-1-oxa-5-silaspiro[4.5]decan-4-yl]propanal.

Molecular Properties

Compound Name(2S)-2-[(3R,4R)-3-methyl-1-oxa-5-silaspiro[4.5]decan-4-yl]propanal
PubChem CID11775890
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name(2S)-2-[(3R,4R)-3-methyl-1-oxa-5-silaspiro[4.5]decan-4-yl]propanal
SMILESC[C@@H]1CO[Si]2(CCCCC2)[C@H]1[C@@H](C)C=O
InChIInChI=1S/C12H22O2Si/c1-10(8-13)12-11(2)9-14-15(12)6-4-3-5-7-15/h8,10-12H,3-7,9H2,1-2H3/t10-,11+,12-/m0/s1
InChIKeyKDVPFCRNEDWEBL-TUAOUCFPSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3R,4R)-3-methyl-1-oxa-5-silaspiro[4.5]decan-4-yl]propanal?
The IUPAC name of (2S)-2-[(3R,4R)-3-methyl-1-oxa-5-silaspiro[4.5]decan-4-yl]propanal (CID 11775890) is (2S)-2-[(3R,4R)-3-methyl-1-oxa-5-silaspiro[4.5]decan-4-yl]propanal.
What is the SMILES notation for (2S)-2-[(3R,4R)-3-methyl-1-oxa-5-silaspiro[4.5]decan-4-yl]propanal?
The canonical SMILES for (2S)-2-[(3R,4R)-3-methyl-1-oxa-5-silaspiro[4.5]decan-4-yl]propanal is C[C@@H]1CO[Si]2(CCCCC2)[C@H]1[C@@H](C)C=O.
What is the InChIKey of (2S)-2-[(3R,4R)-3-methyl-1-oxa-5-silaspiro[4.5]decan-4-yl]propanal?
The InChIKey is KDVPFCRNEDWEBL-TUAOUCFPSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-10(8-13)12-11(2)9-14-15(12)6-4-3-5-7-15/h8,10-12H,3-7,9H2,1-2H3/t10-,11+,12-/m0/s1.
What are the key properties of (2S)-2-[(3R,4R)-3-methyl-1-oxa-5-silaspiro[4.5]decan-4-yl]propanal?
(2S)-2-[(3R,4R)-3-methyl-1-oxa-5-silaspiro[4.5]decan-4-yl]propanal has a molecular weight of 226.39 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3R,4R)-3-methyl-1-oxa-5-silaspiro[4.5]decan-4-yl]propanal is sourced from PubChem (CID 11775890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).