(5S,6S,7R,8R)-2,2-dimethyl-7-tris(trimethylsilyl)silyloxy-1,3,10-trioxaspiro[4.5]decane-6,8-diol

C18H42O6Si4 — CID 101410633

IUPAC(5S,6S,7R,8R)-2,2-dimethyl-7-tris(trimethylsilyl)silyloxy-1,3,10-trioxaspiro[4.5]decane-6,8-diol
SMILESCC1(C)OC[C@]2(OC[C@@H](O)[C@@H](O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[C@@H]2O)O1
InChIInChI=1S/C18H42O6Si4/c1-17(2)22-13-18(24-17)16(20)15(14(19)12-21-18)23-28(25(3,4)5,26(6,7)8)27(9,10)11/h14-16,19-20H,12-13H2,1-11H3/t14-,15-,16+,18+/m1/s1
InChIKeyIIJZFMGBBOVQRU-CBZIJGRNSA-N
MW466.87 g/mol
LogP2.80
Rot. Bonds5

About (5S,6S,7R,8R)-2,2-dimethyl-7-tris(trimethylsilyl)silyloxy-1,3,10-trioxaspiro[4.5]decane-6,8-diol

(5S,6S,7R,8R)-2,2-dimethyl-7-tris(trimethylsilyl)silyloxy-1,3,10-trioxaspiro[4.5]decane-6,8-diol (PubChem CID 101410633) has the molecular formula C18H42O6Si4 and a molecular weight of 466.87 g/mol. Its IUPAC name is (5S,6S,7R,8R)-2,2-dimethyl-7-tris(trimethylsilyl)silyloxy-1,3,10-trioxaspiro[4.5]decane-6,8-diol.

Molecular Properties

Compound Name(5S,6S,7R,8R)-2,2-dimethyl-7-tris(trimethylsilyl)silyloxy-1,3,10-trioxaspiro[4.5]decane-6,8-diol
PubChem CID101410633
Molecular FormulaC18H42O6Si4
Molecular Weight466.87 g/mol
Exact Mass466.21
IUPAC Name(5S,6S,7R,8R)-2,2-dimethyl-7-tris(trimethylsilyl)silyloxy-1,3,10-trioxaspiro[4.5]decane-6,8-diol
SMILESCC1(C)OC[C@]2(OC[C@@H](O)[C@@H](O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[C@@H]2O)O1
InChIInChI=1S/C18H42O6Si4/c1-17(2)22-13-18(24-17)16(20)15(14(19)12-21-18)23-28(25(3,4)5,26(6,7)8)27(9,10)11/h14-16,19-20H,12-13H2,1-11H3/t14-,15-,16+,18+/m1/s1
InChIKeyIIJZFMGBBOVQRU-CBZIJGRNSA-N
XLogP2.80
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.87
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5S,6S,7R,8R)-2,2-dimethyl-6,7-bis(phenylmethoxy)-1,3,10-trioxaspiro[4.5]decan-8-ol
CID 101138684
(3'aS,4R,7'S,7'aR)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
CID 101246367
(3'aR,4S,7'S,7'aR)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
CID 12719660
(3'aS,7'S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
CID 11118797
(3'aS,4R,7'R,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
CID 101152992
(5S,6S,7R,8R)-7-fluoro-2,2-dimethyl-8-phenylmethoxy-1,3,10-trioxaspiro[4.5]decan-6-ol
CID 134933768
2,2-dimethyl-2'-propan-2-ylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
CID 22081778
CID 10494452
CID 10494452
(5R,7S,8S)-7,8-dihydroxy-2,2-dimethyl-1,3,10-trioxaspiro[4.5]decan-6-one
CID 71197714
5,8,14,16-tetraoxadispiro[5.2.59.26]hexadecane-1,2,3,10,11,12-hexol
CID 72781233
bis[(3'aR,4S,7'S,7'aR)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-yl] naphthalene-2,6-dicarboxylate
CID 102511172
2-[(3'aR,4S,7'S,7'aR)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-yl]oxycarbonylbenzoic acid
CID 101131696

Frequently Asked Questions

What is the IUPAC name of (5S,6S,7R,8R)-2,2-dimethyl-7-tris(trimethylsilyl)silyloxy-1,3,10-trioxaspiro[4.5]decane-6,8-diol?
The IUPAC name of (5S,6S,7R,8R)-2,2-dimethyl-7-tris(trimethylsilyl)silyloxy-1,3,10-trioxaspiro[4.5]decane-6,8-diol (CID 101410633) is (5S,6S,7R,8R)-2,2-dimethyl-7-tris(trimethylsilyl)silyloxy-1,3,10-trioxaspiro[4.5]decane-6,8-diol.
What is the SMILES notation for (5S,6S,7R,8R)-2,2-dimethyl-7-tris(trimethylsilyl)silyloxy-1,3,10-trioxaspiro[4.5]decane-6,8-diol?
The canonical SMILES for (5S,6S,7R,8R)-2,2-dimethyl-7-tris(trimethylsilyl)silyloxy-1,3,10-trioxaspiro[4.5]decane-6,8-diol is CC1(C)OC[C@]2(OC[C@@H](O)[C@@H](O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[C@@H]2O)O1.
What is the InChIKey of (5S,6S,7R,8R)-2,2-dimethyl-7-tris(trimethylsilyl)silyloxy-1,3,10-trioxaspiro[4.5]decane-6,8-diol?
The InChIKey is IIJZFMGBBOVQRU-CBZIJGRNSA-N. The full InChI is InChI=1S/C18H42O6Si4/c1-17(2)22-13-18(24-17)16(20)15(14(19)12-21-18)23-28(25(3,4)5,26(6,7)8)27(9,10)11/h14-16,19-20H,12-13H2,1-11H3/t14-,15-,16+,18+/m1/s1.
What are the key properties of (5S,6S,7R,8R)-2,2-dimethyl-7-tris(trimethylsilyl)silyloxy-1,3,10-trioxaspiro[4.5]decane-6,8-diol?
(5S,6S,7R,8R)-2,2-dimethyl-7-tris(trimethylsilyl)silyloxy-1,3,10-trioxaspiro[4.5]decane-6,8-diol has a molecular weight of 466.87 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S,7R,8R)-2,2-dimethyl-7-tris(trimethylsilyl)silyloxy-1,3,10-trioxaspiro[4.5]decane-6,8-diol is sourced from PubChem (CID 101410633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).