(E,3R)-6-tributylstannyl-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol

C29H62O2SiSn — CID 134905793

IUPAC(E,3R)-6-tributylstannyl-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol
SMILESCCCC[Sn](CCCC)(CCCC)/C(C)=C/C(CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](O)CC
InChIInChI=1S/C17H35O2Si.3C4H9.Sn/c1-9-11-16(17(18)10-2)12-19-20(13(3)4,14(5)6)15(7)8;3*1-3-4-2;/h11,13-18H,10,12H2,1-8H3;3*1,3-4H2,2H3;/t16?,17-;;;;/m1..../s1
InChIKeyJDBMJHHZLFVWMY-QJAFPNKZSA-N
MW589.61 g/mol
LogP9.90
Rot. Bonds19

About (E,3R)-6-tributylstannyl-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol

(E,3R)-6-tributylstannyl-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol (PubChem CID 134905793) has the molecular formula C29H62O2SiSn and a molecular weight of 589.61 g/mol. Its IUPAC name is (E,3R)-6-tributylstannyl-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol.

Molecular Properties

Compound Name(E,3R)-6-tributylstannyl-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol
PubChem CID134905793
Molecular FormulaC29H62O2SiSn
Molecular Weight589.61 g/mol
Exact Mass590.35
IUPAC Name(E,3R)-6-tributylstannyl-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol
SMILESCCCC[Sn](CCCC)(CCCC)/C(C)=C/C(CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](O)CC
InChIInChI=1S/C17H35O2Si.3C4H9.Sn/c1-9-11-16(17(18)10-2)12-19-20(13(3)4,14(5)6)15(7)8;3*1-3-4-2;/h11,13-18H,10,12H2,1-8H3;3*1,3-4H2,2H3;/t16?,17-;;;;/m1..../s1
InChIKeyJDBMJHHZLFVWMY-QJAFPNKZSA-N
XLogP9.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.61
LogP ≤ 59.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,3R)-6-tributylstannyl-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol?
The IUPAC name of (E,3R)-6-tributylstannyl-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol (CID 134905793) is (E,3R)-6-tributylstannyl-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol.
What is the SMILES notation for (E,3R)-6-tributylstannyl-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol?
The canonical SMILES for (E,3R)-6-tributylstannyl-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol is CCCC[Sn](CCCC)(CCCC)/C(C)=C/C(CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](O)CC.
What is the InChIKey of (E,3R)-6-tributylstannyl-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol?
The InChIKey is JDBMJHHZLFVWMY-QJAFPNKZSA-N. The full InChI is InChI=1S/C17H35O2Si.3C4H9.Sn/c1-9-11-16(17(18)10-2)12-19-20(13(3)4,14(5)6)15(7)8;3*1-3-4-2;/h11,13-18H,10,12H2,1-8H3;3*1,3-4H2,2H3;/t16?,17-;;;;/m1..../s1.
What are the key properties of (E,3R)-6-tributylstannyl-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol?
(E,3R)-6-tributylstannyl-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol has a molecular weight of 589.61 g/mol, XLogP of 9.90, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-6-tributylstannyl-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol is sourced from PubChem (CID 134905793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).