4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol

C20H38O4Si — CID 10832997

IUPAC4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol
SMILESCC[Si](CC)(CC)OCC(C)(O)CCC1CC=CC2(CCCCO2)O1
InChIInChI=1S/C20H38O4Si/c1-5-25(6-2,7-3)23-17-19(4,21)15-12-18-11-10-14-20(24-18)13-8-9-16-22-20/h10,14,18,21H,5-9,11-13,15-17H2,1-4H3
InChIKeyPPDWBCXHFSRTFL-UHFFFAOYSA-N
MW370.61 g/mol
LogP4.78
Rot. Bonds9

About 4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol

4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol (PubChem CID 10832997) has the molecular formula C20H38O4Si and a molecular weight of 370.61 g/mol. Its IUPAC name is 4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol.

Molecular Properties

Compound Name4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol
PubChem CID10832997
Molecular FormulaC20H38O4Si
Molecular Weight370.61 g/mol
Exact Mass370.25
IUPAC Name4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol
SMILESCC[Si](CC)(CC)OCC(C)(O)CCC1CC=CC2(CCCCO2)O1
InChIInChI=1S/C20H38O4Si/c1-5-25(6-2,7-3)23-17-19(4,21)15-12-18-11-10-14-20(24-18)13-8-9-16-22-20/h10,14,18,21H,5-9,11-13,15-17H2,1-4H3
InChIKeyPPDWBCXHFSRTFL-UHFFFAOYSA-N
XLogP4.78
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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 4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol with MolForge

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Related Compounds

(6r,7s,10r)-10-t-Butyldimethylsilyloxy-2,2,7-trimethyl-1,3-dioxaspiro[5.5]undec-8-en-7-ol
CID 12994838
[4-(1,7-Dioxaspiro[5.5]undec-4-en-2-yl)-2-hydroxy-2-methylbutyl] acetate
CID 10827945
2-[(2R,3S,6S,8S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-1,7-dioxaspiro[5.5]undec-4-en-8-yl]ethanol
CID 11453081
2-[(2R,3S,6R,8S,11R)-11-iodo-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-1,7-dioxaspiro[5.5]undec-4-en-8-yl]ethanol
CID 11467009
(3S)-3-[(4S,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-4-yl]butane-1,2-diol
CID 10501305
(Z)-8-(2-methoxyoxan-2-yl)-2-methyloct-7-ene-1,2,5-triol
CID 10589446
(Z)-8-(2-methoxyoxan-2-yl)-2-methyl-1-triethylsilyloxyoct-7-ene-2,5-diol
CID 10739893
tert-butyl-[(2R,3S,5S,6R)-6-[(E,2S)-4-[(2S,3S,6R)-3,6-dimethoxy-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]-5-methoxy-3-methyloxan-2-yl]oxy-dimethylsilane
CID 11070714
(1aR,2R,7aR,7bS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethyl-7b-prop-2-enyl-1a,2,4,7a-tetrahydrooxireno[2,3-h][1,3]benzodioxin-2-ol
CID 11315077
(1R)-1-[(4R)-2,2-dimethyl-4-[(E)-3-tri(propan-2-yl)silyloxyprop-1-enyl]-1,3-dioxan-4-yl]but-3-en-1-ol
CID 11383973
(6R,11S)-8-[tert-butyl(dimethyl)silyl]oxy-2,2,11-trimethyl-1,3-dioxaspiro[5.5]undec-9-en-11-ol
CID 21575326
(2S,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(E)-prop-1-enyl]oxan-4-ol
CID 100999903

Frequently Asked Questions

What is the IUPAC name of 4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol?
The IUPAC name of 4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol (CID 10832997) is 4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol.
What is the SMILES notation for 4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol?
The canonical SMILES for 4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol is CC[Si](CC)(CC)OCC(C)(O)CCC1CC=CC2(CCCCO2)O1.
What is the InChIKey of 4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol?
The InChIKey is PPDWBCXHFSRTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O4Si/c1-5-25(6-2,7-3)23-17-19(4,21)15-12-18-11-10-14-20(24-18)13-8-9-16-22-20/h10,14,18,21H,5-9,11-13,15-17H2,1-4H3.
What are the key properties of 4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol?
4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol has a molecular weight of 370.61 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol is sourced from PubChem (CID 10832997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).