(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decane-3-carbaldehyde

C16H30O4Si — CID 10958008

IUPAC(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decane-3-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1OC2(CCCCC2)O[C@H]1C=O
InChIInChI=1S/C16H30O4Si/c1-15(2,3)21(4,5)18-12-14-13(11-17)19-16(20-14)9-7-6-8-10-16/h11,13-14H,6-10,12H2,1-5H3/t13-,14-/m0/s1
InChIKeyIIWJUKWZWAICRF-KBPBESRZSA-N
MW314.50 g/mol
LogP3.65
Rot. Bonds4

About (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decane-3-carbaldehyde

(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decane-3-carbaldehyde (PubChem CID 10958008) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decane-3-carbaldehyde.

Molecular Properties

Compound Name(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decane-3-carbaldehyde
PubChem CID10958008
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Name(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decane-3-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1OC2(CCCCC2)O[C@H]1C=O
InChIInChI=1S/C16H30O4Si/c1-15(2,3)21(4,5)18-12-14-13(11-17)19-16(20-14)9-7-6-8-10-16/h11,13-14H,6-10,12H2,1-5H3/t13-,14-/m0/s1
InChIKeyIIWJUKWZWAICRF-KBPBESRZSA-N
XLogP3.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 14283028
(3aS,4S,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carbaldehyde
CID 134922821
(2R,3S)-1,4-dioxaspiro[4.5]decane-2,3-dicarbaldehyde
CID 89064448
ethyl (Z)-3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 11142483
N-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]formamide
CID 10958508
(3aR,4S,9R,9aR,9bS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-hydroxyspiro[4,7,8,9,9a,9b-hexahydro-3aH-[1,3]dioxolo[4,5-a]indolizine-2,1'-cyclohexane]-6-one
CID 12038844
3,3-dimethyl-2-[[(2S,3R)-3-[(1E,3E)-6-trimethylsilylhexa-1,3-dien-5-ynyl]-1,4-dioxaspiro[4.5]decan-2-yl]methoxy]butanoic acid
CID 87267398
(3aR,5S,6R,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-6-carbaldehyde
CID 140772695
ethyl (E)-3-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]prop-2-enoate
CID 11383617
tert-butyl-[[(4R,5R)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 53360059
2-(2-methyl-1,4-dioxaspiro[4.5]decan-3-yl)acetaldehyde
CID 130035928
methyl 2-[(3aR,4R,6S,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]acetate
CID 56648197

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decane-3-carbaldehyde?
The IUPAC name of (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decane-3-carbaldehyde (CID 10958008) is (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decane-3-carbaldehyde.
What is the SMILES notation for (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decane-3-carbaldehyde?
The canonical SMILES for (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decane-3-carbaldehyde is CC(C)(C)[Si](C)(C)OC[C@@H]1OC2(CCCCC2)O[C@H]1C=O.
What is the InChIKey of (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decane-3-carbaldehyde?
The InChIKey is IIWJUKWZWAICRF-KBPBESRZSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-15(2,3)21(4,5)18-12-14-13(11-17)19-16(20-14)9-7-6-8-10-16/h11,13-14H,6-10,12H2,1-5H3/t13-,14-/m0/s1.
What are the key properties of (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decane-3-carbaldehyde?
(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decane-3-carbaldehyde has a molecular weight of 314.50 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decane-3-carbaldehyde is sourced from PubChem (CID 10958008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).