tert-butyl-[2-[(2R,3S,6S)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane

C22H42O3Si — CID 10500136

IUPACtert-butyl-[2-[(2R,3S,6S)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane
SMILESCCCCC1=CO[C@]2(CC1)CC[C@H](C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O2
InChIInChI=1S/C22H42O3Si/c1-8-9-10-19-12-15-22(23-17-19)14-11-18(2)20(25-22)13-16-24-26(6,7)21(3,4)5/h17-18,20H,8-16H2,1-7H3/t18-,20+,22+/m0/s1
InChIKeyOKGPVSXLTSXXEJ-CZTZKLFOSA-N
MW382.66 g/mol
LogP6.79
Rot. Bonds7

About tert-butyl-[2-[(2R,3S,6S)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane

tert-butyl-[2-[(2R,3S,6S)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane (PubChem CID 10500136) has the molecular formula C22H42O3Si and a molecular weight of 382.66 g/mol. Its IUPAC name is tert-butyl-[2-[(2R,3S,6S)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(2R,3S,6S)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane
PubChem CID10500136
Molecular FormulaC22H42O3Si
Molecular Weight382.66 g/mol
Exact Mass382.29
IUPAC Nametert-butyl-[2-[(2R,3S,6S)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane
SMILESCCCCC1=CO[C@]2(CC1)CC[C@H](C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O2
InChIInChI=1S/C22H42O3Si/c1-8-9-10-19-12-15-22(23-17-19)14-11-18(2)20(25-22)13-16-24-26(6,7)21(3,4)5/h17-18,20H,8-16H2,1-7H3/t18-,20+,22+/m0/s1
InChIKeyOKGPVSXLTSXXEJ-CZTZKLFOSA-N
XLogP6.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.66
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[2-[(2R,3S,6S)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-[[(3S,4R,5S,6S,8R,9R,10R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,9-trimethyl-2-methylidene-8-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
CID 11156528
(4S,5S)-5-[(3R)-3-[(2S,3S,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-2,2,4-trimethyl-3-methylideneoxasilolane
CID 134846315
tert-butyl-[2-[(4S,6S)-2,2-dimethyl-6-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methyl]-1,3-dioxan-4-yl]ethoxy]-dimethylsilane
CID 134850568
bis[(Z)-but-2-enyl]-[(2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane
CID 135070779
tert-butyl-dimethyl-[3-[(2R,6S,8S)-3-methyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]propoxy]silane
CID 59456495
6-[4-[Tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-2-yl]-3-(methoxymethoxy)-2,4-dimethylhex-1-en-1-ol
CID 70432200
tert-butyl-[[(4R,5R)-2,2-dimethyl-4-[[(4R)-4-methylcyclohexen-1-yl]methyl]-1,3-dioxan-5-yl]methoxy]-dimethylsilane
CID 9999123
tert-butyl-[[(4R,5S)-2,2-dimethyl-4-[[(4R)-4-methylcyclohexen-1-yl]methyl]-1,3-dioxan-5-yl]methoxy]-dimethylsilane
CID 10090449
tert-butyl-[[(4R,5R)-4-[(E,5R)-8-iodo-5,7-dimethyloct-7-enyl]-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]-dimethylsilane
CID 10369535
tert-butyl-[(2R)-2-[(4S,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane
CID 10404268
(4S,5S)-5-[(3R)-3-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-2,2,4-trimethyl-3-methylideneoxasilolane
CID 10528060
tert-butyl-dimethyl-[[(2R,3S,6R,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]silane
CID 10786170

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(2R,3S,6S)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[(2R,3S,6S)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane (CID 10500136) is tert-butyl-[2-[(2R,3S,6S)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[(2R,3S,6S)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[(2R,3S,6S)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane is CCCCC1=CO[C@]2(CC1)CC[C@H](C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O2.
What is the InChIKey of tert-butyl-[2-[(2R,3S,6S)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane?
The InChIKey is OKGPVSXLTSXXEJ-CZTZKLFOSA-N. The full InChI is InChI=1S/C22H42O3Si/c1-8-9-10-19-12-15-22(23-17-19)14-11-18(2)20(25-22)13-16-24-26(6,7)21(3,4)5/h17-18,20H,8-16H2,1-7H3/t18-,20+,22+/m0/s1.
What are the key properties of tert-butyl-[2-[(2R,3S,6S)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane?
tert-butyl-[2-[(2R,3S,6S)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane has a molecular weight of 382.66 g/mol, XLogP of 6.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(2R,3S,6S)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 10500136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).