(2S,3S,6R,8S,9S,10R,11R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-8-[(E,3R)-3-ethyl-5-trimethylstannylpent-4-enyl]-3,9,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-ol

C31H62O4SiSn — CID 10746762

IUPAC(2S,3S,6R,8S,9S,10R,11R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-8-[(E,3R)-3-ethyl-5-trimethylstannylpent-4-enyl]-3,9,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-ol
SMILESCCC(/C=C/[Sn](C)(C)C)CC[C@@H]1O[C@]2(CC[C@H](C)[C@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O2)[C@H](C)[C@H](O)[C@@H]1C
InChIInChI=1S/C28H53O4Si.3CH3.Sn/c1-12-23(13-2)14-15-24-21(5)26(29)22(6)28(30-24)17-16-19(3)25(31-28)18-20(4)32-33(10,11)27(7,8)9;;;;/h1,12,19-26,29H,13-18H2,2-11H3;3*1H3;/t19-,20+,21+,22+,23?,24-,25-,26+,28-;;;;/m0..../s1
InChIKeyLSJJLEGNORBIIY-JEJVRAFOSA-N
MW645.63 g/mol
LogP8.57
Rot. Bonds10

About (2S,3S,6R,8S,9S,10R,11R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-8-[(E,3R)-3-ethyl-5-trimethylstannylpent-4-enyl]-3,9,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-ol

(2S,3S,6R,8S,9S,10R,11R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-8-[(E,3R)-3-ethyl-5-trimethylstannylpent-4-enyl]-3,9,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-ol (PubChem CID 10746762) has the molecular formula C31H62O4SiSn and a molecular weight of 645.63 g/mol. Its IUPAC name is (2S,3S,6R,8S,9S,10R,11R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-8-[(E,3R)-3-ethyl-5-trimethylstannylpent-4-enyl]-3,9,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-ol.

Molecular Properties

Compound Name(2S,3S,6R,8S,9S,10R,11R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-8-[(E,3R)-3-ethyl-5-trimethylstannylpent-4-enyl]-3,9,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-ol
PubChem CID10746762
Molecular FormulaC31H62O4SiSn
Molecular Weight645.63 g/mol
Exact Mass646.34
IUPAC Name(2S,3S,6R,8S,9S,10R,11R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-8-[(E,3R)-3-ethyl-5-trimethylstannylpent-4-enyl]-3,9,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-ol
SMILESCCC(/C=C/[Sn](C)(C)C)CC[C@@H]1O[C@]2(CC[C@H](C)[C@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O2)[C@H](C)[C@H](O)[C@@H]1C
InChIInChI=1S/C28H53O4Si.3CH3.Sn/c1-12-23(13-2)14-15-24-21(5)26(29)22(6)28(30-24)17-16-19(3)25(31-28)18-20(4)32-33(10,11)27(7,8)9;;;;/h1,12,19-26,29H,13-18H2,2-11H3;3*1H3;/t19-,20+,21+,22+,23?,24-,25-,26+,28-;;;;/m0..../s1
InChIKeyLSJJLEGNORBIIY-JEJVRAFOSA-N
XLogP8.57
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.63
LogP ≤ 58.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,3S,6R,8S,9S,10R,11R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-8-[(E,3R)-3-ethyl-5-trimethylstannylpent-4-enyl]-3,9,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,6R,8S,9S,10R,11R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-8-[(E,3R)-3-ethyl-5-trimethylstannylpent-4-enyl]-3,9,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-ol?
The IUPAC name of (2S,3S,6R,8S,9S,10R,11R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-8-[(E,3R)-3-ethyl-5-trimethylstannylpent-4-enyl]-3,9,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-ol (CID 10746762) is (2S,3S,6R,8S,9S,10R,11R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-8-[(E,3R)-3-ethyl-5-trimethylstannylpent-4-enyl]-3,9,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-ol.
What is the SMILES notation for (2S,3S,6R,8S,9S,10R,11R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-8-[(E,3R)-3-ethyl-5-trimethylstannylpent-4-enyl]-3,9,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-ol?
The canonical SMILES for (2S,3S,6R,8S,9S,10R,11R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-8-[(E,3R)-3-ethyl-5-trimethylstannylpent-4-enyl]-3,9,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-ol is CCC(/C=C/[Sn](C)(C)C)CC[C@@H]1O[C@]2(CC[C@H](C)[C@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O2)[C@H](C)[C@H](O)[C@@H]1C.
What is the InChIKey of (2S,3S,6R,8S,9S,10R,11R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-8-[(E,3R)-3-ethyl-5-trimethylstannylpent-4-enyl]-3,9,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-ol?
The InChIKey is LSJJLEGNORBIIY-JEJVRAFOSA-N. The full InChI is InChI=1S/C28H53O4Si.3CH3.Sn/c1-12-23(13-2)14-15-24-21(5)26(29)22(6)28(30-24)17-16-19(3)25(31-28)18-20(4)32-33(10,11)27(7,8)9;;;;/h1,12,19-26,29H,13-18H2,2-11H3;3*1H3;/t19-,20+,21+,22+,23?,24-,25-,26+,28-;;;;/m0..../s1.
What are the key properties of (2S,3S,6R,8S,9S,10R,11R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-8-[(E,3R)-3-ethyl-5-trimethylstannylpent-4-enyl]-3,9,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-ol?
(2S,3S,6R,8S,9S,10R,11R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-8-[(E,3R)-3-ethyl-5-trimethylstannylpent-4-enyl]-3,9,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-ol has a molecular weight of 645.63 g/mol, XLogP of 8.57, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,6R,8S,9S,10R,11R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-8-[(E,3R)-3-ethyl-5-trimethylstannylpent-4-enyl]-3,9,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-ol is sourced from PubChem (CID 10746762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).