tert-butyl-dimethyl-[(3S)-1-[2-[(4R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethoxy]hex-5-en-3-yl]oxysilane

C27H52O4Si — CID 139249758

IUPACtert-butyl-dimethyl-[(3S)-1-[2-[(4R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethoxy]hex-5-en-3-yl]oxysilane
SMILESC=CC[C@@H](CCOCC[C@@H]1CCOC2(C[C@H](C)CC[C@H]2C(C)C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H52O4Si/c1-10-11-24(31-32(8,9)26(5,6)7)15-18-28-17-14-23-16-19-29-27(30-23)20-22(4)12-13-25(27)21(2)3/h10,21-25H,1,11-20H2,2-9H3/t22-,23-,24+,25+,27?/m1/s1
InChIKeyKPNQTQLOZCQDMR-SUVJPPNLSA-N
MW468.80 g/mol
LogP7.34
Rot. Bonds11

About tert-butyl-dimethyl-[(3S)-1-[2-[(4R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethoxy]hex-5-en-3-yl]oxysilane

tert-butyl-dimethyl-[(3S)-1-[2-[(4R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethoxy]hex-5-en-3-yl]oxysilane (PubChem CID 139249758) has the molecular formula C27H52O4Si and a molecular weight of 468.80 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S)-1-[2-[(4R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethoxy]hex-5-en-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S)-1-[2-[(4R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethoxy]hex-5-en-3-yl]oxysilane
PubChem CID139249758
Molecular FormulaC27H52O4Si
Molecular Weight468.80 g/mol
Exact Mass468.36
IUPAC Nametert-butyl-dimethyl-[(3S)-1-[2-[(4R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethoxy]hex-5-en-3-yl]oxysilane
SMILESC=CC[C@@H](CCOCC[C@@H]1CCOC2(C[C@H](C)CC[C@H]2C(C)C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H52O4Si/c1-10-11-24(31-32(8,9)26(5,6)7)15-18-28-17-14-23-16-19-29-27(30-23)20-22(4)12-13-25(27)21(2)3/h10,21-25H,1,11-20H2,2-9H3/t22-,23-,24+,25+,27?/m1/s1
InChIKeyKPNQTQLOZCQDMR-SUVJPPNLSA-N
XLogP7.34
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.80
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(4S,7R)-4-[tert-butyl(dimethyl)silyl]oxyhenicos-1-en-7-yl]oxy-dimethylsilane
CID 11215040
(6R,8R,11S)-3-but-3-enyl-2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one
CID 14641476
CID 89335054
CID 89335054
[(2S,3S,4E,6S)-6-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(1R,3S)-3-[[(4R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]methyl]cyclohexyl]butanoyl]oxypropyl]-2-methoxy-4-(2-methoxy-2-oxoethylidene)-2-[(E)-2-methyl-5-oxopent-3-en-2-yl]oxan-3-yl] octanoate
CID 173495063
(8S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-hydroxy-8-methyltetradec-13-ene-4,7-dione
CID 11038220
(6R,8R,11S)-2-but-3-enyl-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one
CID 10564569
(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexan-1-ol
CID 11401335
tert-butyl-[(2S,3R)-2-iodohex-5-en-3-yl]oxy-dimethylsilane
CID 102090847
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enoxy]-dimethylsilane
CID 101029883
3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 14110577
2-[(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-1-[(3R)-3-hydroxybutyl]cyclopropan-1-ol
CID 134940448
[(2R,4S,6S)-2,6-bis(methoxymethoxy)non-8-en-4-yl]oxy-tert-butyl-dimethylsilane
CID 56946984

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3S)-1-[2-[(4R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethoxy]hex-5-en-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3S)-1-[2-[(4R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethoxy]hex-5-en-3-yl]oxysilane (CID 139249758) is tert-butyl-dimethyl-[(3S)-1-[2-[(4R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethoxy]hex-5-en-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S)-1-[2-[(4R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethoxy]hex-5-en-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3S)-1-[2-[(4R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethoxy]hex-5-en-3-yl]oxysilane is C=CC[C@@H](CCOCC[C@@H]1CCOC2(C[C@H](C)CC[C@H]2C(C)C)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3S)-1-[2-[(4R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethoxy]hex-5-en-3-yl]oxysilane?
The InChIKey is KPNQTQLOZCQDMR-SUVJPPNLSA-N. The full InChI is InChI=1S/C27H52O4Si/c1-10-11-24(31-32(8,9)26(5,6)7)15-18-28-17-14-23-16-19-29-27(30-23)20-22(4)12-13-25(27)21(2)3/h10,21-25H,1,11-20H2,2-9H3/t22-,23-,24+,25+,27?/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(3S)-1-[2-[(4R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethoxy]hex-5-en-3-yl]oxysilane?
tert-butyl-dimethyl-[(3S)-1-[2-[(4R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethoxy]hex-5-en-3-yl]oxysilane has a molecular weight of 468.80 g/mol, XLogP of 7.34, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3S)-1-[2-[(4R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethoxy]hex-5-en-3-yl]oxysilane is sourced from PubChem (CID 139249758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).