(4R,5S,6R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6-prop-2-enyl-1,3-dioxaspiro[4.5]decan-6-ol

C20H38O4Si — CID 11793548

IUPAC(4R,5S,6R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6-prop-2-enyl-1,3-dioxaspiro[4.5]decan-6-ol
SMILESC=CC[C@]1(O)CCCC[C@@]12OC(C)(C)O[C@@H]2CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O4Si/c1-9-12-19(21)13-10-11-14-20(19)16(23-18(5,6)24-20)15-22-25(7,8)17(2,3)4/h9,16,21H,1,10-15H2,2-8H3/t16-,19+,20+/m1/s1
InChIKeyWNQXDLZVFPRCNY-UXPWSPDFSA-N
MW370.61 g/mol
LogP4.78
Rot. Bonds5

About (4R,5S,6R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6-prop-2-enyl-1,3-dioxaspiro[4.5]decan-6-ol

(4R,5S,6R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6-prop-2-enyl-1,3-dioxaspiro[4.5]decan-6-ol (PubChem CID 11793548) has the molecular formula C20H38O4Si and a molecular weight of 370.61 g/mol. Its IUPAC name is (4R,5S,6R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6-prop-2-enyl-1,3-dioxaspiro[4.5]decan-6-ol.

Molecular Properties

Compound Name(4R,5S,6R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6-prop-2-enyl-1,3-dioxaspiro[4.5]decan-6-ol
PubChem CID11793548
Molecular FormulaC20H38O4Si
Molecular Weight370.61 g/mol
Exact Mass370.25
IUPAC Name(4R,5S,6R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6-prop-2-enyl-1,3-dioxaspiro[4.5]decan-6-ol
SMILESC=CC[C@]1(O)CCCC[C@@]12OC(C)(C)O[C@@H]2CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O4Si/c1-9-12-19(21)13-10-11-14-20(19)16(23-18(5,6)24-20)15-22-25(7,8)17(2,3)4/h9,16,21H,1,10-15H2,2-8H3/t16-,19+,20+/m1/s1
InChIKeyWNQXDLZVFPRCNY-UXPWSPDFSA-N
XLogP4.78
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.61
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R,5S,6R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6-prop-2-enyl-1,3-dioxaspiro[4.5]decan-6-ol with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[[(4R,5R)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 53360059
(2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-5-prop-2-enyloxolan-3-ol
CID 57385207
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-methylidene-5-prop-2-enyl-2,3,4,6,7,8a-hexahydro-1H-naphthalen-4a-ol
CID 135066713
[(2R,3S)-3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]methanol
CID 10853033
(3aS,4R,6S,7R,7aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydroxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-sulfonic acid
CID 174457520
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentan-1-ol
CID 75230273
[(4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-2,2-dimethyl-1,3-dioxan-5-yl] thiocyanate
CID 102451474
tert-butyl-[(2R)-2-[(4S,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane
CID 10404268
(3aS,4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 71314364
tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 14494226
(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decane-3-carbaldehyde
CID 10958008
2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 138967635

Frequently Asked Questions

What is the IUPAC name of (4R,5S,6R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6-prop-2-enyl-1,3-dioxaspiro[4.5]decan-6-ol?
The IUPAC name of (4R,5S,6R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6-prop-2-enyl-1,3-dioxaspiro[4.5]decan-6-ol (CID 11793548) is (4R,5S,6R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6-prop-2-enyl-1,3-dioxaspiro[4.5]decan-6-ol.
What is the SMILES notation for (4R,5S,6R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6-prop-2-enyl-1,3-dioxaspiro[4.5]decan-6-ol?
The canonical SMILES for (4R,5S,6R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6-prop-2-enyl-1,3-dioxaspiro[4.5]decan-6-ol is C=CC[C@]1(O)CCCC[C@@]12OC(C)(C)O[C@@H]2CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,5S,6R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6-prop-2-enyl-1,3-dioxaspiro[4.5]decan-6-ol?
The InChIKey is WNQXDLZVFPRCNY-UXPWSPDFSA-N. The full InChI is InChI=1S/C20H38O4Si/c1-9-12-19(21)13-10-11-14-20(19)16(23-18(5,6)24-20)15-22-25(7,8)17(2,3)4/h9,16,21H,1,10-15H2,2-8H3/t16-,19+,20+/m1/s1.
What are the key properties of (4R,5S,6R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6-prop-2-enyl-1,3-dioxaspiro[4.5]decan-6-ol?
(4R,5S,6R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6-prop-2-enyl-1,3-dioxaspiro[4.5]decan-6-ol has a molecular weight of 370.61 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6-prop-2-enyl-1,3-dioxaspiro[4.5]decan-6-ol is sourced from PubChem (CID 11793548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).