(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

C28H50O3Si — CID 10528060

IUPAC(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
SMILESC=C[C@@H](C)CC[C@@H]1O[C@@]2(CC[C@H]1C)CC[C@H](C)[C@H]([C@H](C)CC[C@@H]1O[Si](C)(C)C(=C)[C@H]1C)O2
InChIInChI=1S/C28H50O3Si/c1-10-19(2)11-13-25-20(3)15-17-28(29-25)18-16-22(5)27(30-28)21(4)12-14-26-23(6)24(7)32(8,9)31-26/h10,19-23,25-27H,1,7,11-18H2,2-6,8-9H3/t19-,20-,21-,22+,23-,25+,26+,27+,28-/m1/s1
InChIKeyUQVDZJVNDKULPO-FSWFRTBGSA-N
MW462.79 g/mol
LogP7.67
Rot. Bonds8

About (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

(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 (PubChem CID 10528060) has the molecular formula C28H50O3Si and a molecular weight of 462.79 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID10528060
Molecular FormulaC28H50O3Si
Molecular Weight462.79 g/mol
Exact Mass462.35
IUPAC Name(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
SMILESC=C[C@@H](C)CC[C@@H]1O[C@@]2(CC[C@H]1C)CC[C@H](C)[C@H]([C@H](C)CC[C@@H]1O[Si](C)(C)C(=C)[C@H]1C)O2
InChIInChI=1S/C28H50O3Si/c1-10-19(2)11-13-25-20(3)15-17-28(29-25)18-16-22(5)27(30-28)21(4)12-14-26-23(6)24(7)32(8,9)31-26/h10,19-23,25-27H,1,7,11-18H2,2-6,8-9H3/t19-,20-,21-,22+,23-,25+,26+,27+,28-/m1/s1
InChIKeyUQVDZJVNDKULPO-FSWFRTBGSA-N
XLogP7.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.79
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

tert-butyl-[2-[(2R,3S,6S)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane
CID 10500136
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
[(2S)-4-[2-[(2R)-hex-5-en-2-yl]-1,3-dioxolan-2-yl]-2-methylbutoxy]-tri(propan-2-yl)silane
CID 11304093
tert-butyl-[[(2R,3S,6S,8R,9S)-8-(3,3-dibromoprop-2-enyl)-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane
CID 24749544
tert-butyl-[(1S)-1-[(2S,4R,6S,8S,10S)-2-[(R)-methoxymethoxy-(2-methyl-1,3-dioxolan-2-yl)methyl]-4,10-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylprop-2-enoxy]-dimethylsilane
CID 71490156
CID 134846314
CID 134846314
(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-dimethyl-[(E,2S)-6-methyl-1-[(1R,5S,6R)-6-methyl-2,9-dioxabicyclo[3.3.1]nonan-1-yl]hept-3-en-2-yl]oxysilane
CID 134850483
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
tert-butyl-[(E,2R,3R)-1-(2,6-dimethoxyoxan-4-yl)-3-methyl-5-trimethylsilylpent-4-en-2-yl]oxy-dimethylsilane
CID 134922656
tert-butyl-[(2S)-1-[(2R)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-methyl-1,6-dioxaspiro[4.5]decan-2-yl]hept-6-en-2-yl]oxy-dimethylsilane
CID 134940113
tert-butyl-[(2S)-1-[(4R)-8-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-9-methyl-1,5,7-trioxaspiro[5.5]undecan-4-yl]hept-6-en-2-yl]oxy-dimethylsilane
CID 134940115

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C[C@@H](C)CC[C@@H]1O[C@@]2(CC[C@H]1C)CC[C@H](C)[C@H]([C@H](C)CC[C@@H]1O[Si](C)(C)C(=C)[C@H]1C)O2.
What is the InChIKey of (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?
The InChIKey is UQVDZJVNDKULPO-FSWFRTBGSA-N. The full InChI is InChI=1S/C28H50O3Si/c1-10-19(2)11-13-25-20(3)15-17-28(29-25)18-16-22(5)27(30-28)21(4)12-14-26-23(6)24(7)32(8,9)31-26/h10,19-23,25-27H,1,7,11-18H2,2-6,8-9H3/t19-,20-,21-,22+,23-,25+,26+,27+,28-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 462.79 g/mol, XLogP of 7.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 10528060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).