(E)-5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-yl-3-tributylstannylpent-2-en-1-ol

C33H56O2SiSn — CID 11039475

IUPAC(E)-5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-yl-3-tributylstannylpent-2-en-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/C(O)c1cccc2ccccc12)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H29O2Si.3C4H9.Sn/c1-21(2,3)24(4,5)23-16-9-8-15-20(22)19-14-10-12-17-11-6-7-13-18(17)19;3*1-3-4-2;/h6-7,10-15,20,22H,9,16H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyAOCKZNLGKCDIGV-UHFFFAOYSA-N
MW631.61 g/mol
LogP10.60
Rot. Bonds16

About (E)-5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-yl-3-tributylstannylpent-2-en-1-ol

(E)-5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-yl-3-tributylstannylpent-2-en-1-ol (PubChem CID 11039475) has the molecular formula C33H56O2SiSn and a molecular weight of 631.61 g/mol. Its IUPAC name is (E)-5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-yl-3-tributylstannylpent-2-en-1-ol.

Molecular Properties

Compound Name(E)-5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-yl-3-tributylstannylpent-2-en-1-ol
PubChem CID11039475
Molecular FormulaC33H56O2SiSn
Molecular Weight631.61 g/mol
Exact Mass632.31
IUPAC Name(E)-5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-yl-3-tributylstannylpent-2-en-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/C(O)c1cccc2ccccc12)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H29O2Si.3C4H9.Sn/c1-21(2,3)24(4,5)23-16-9-8-15-20(22)19-14-10-12-17-11-6-7-13-18(17)19;3*1-3-4-2;/h6-7,10-15,20,22H,9,16H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyAOCKZNLGKCDIGV-UHFFFAOYSA-N
XLogP10.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.61
LogP ≤ 510.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(Z)-5-phenyl-4-tributylstannylpent-4-enoxy]silane
CID 177480372
tert-butyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate
CID 136590573
(E)-5-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-3-tributylstannylpent-2-en-1-one
CID 10973945
tert-butyl-(4-iodo-2-naphthalen-1-ylbut-3-enoxy)-dimethylsilane
CID 173226598
(Z)-6-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-en-2-ol
CID 134947532
tert-butyl-dimethyl-[(E)-4-[(S)-(4-methylphenyl)sulfinyl]-4-tributylstannylbut-3-enoxy]silane
CID 25139411
N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-ylethyl]-2-methylpropane-2-sulfinamide
CID 102250228
[(Z)-3-phenyl-2-tributylstannylprop-2-enoxy]-tri(propan-2-yl)silane
CID 134950737
tert-butyl-[(2Z)-2-[fluoro(tributylstannyl)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-dimethylsilane
CID 70294580
tributyl(1-naphthalen-1-ylethenyl)stannane
CID 164897837
1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-ol
CID 19981621
[(2R)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-1,1,1-trifluoropropan-2-yl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 174066018

Frequently Asked Questions

What is the IUPAC name of (E)-5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-yl-3-tributylstannylpent-2-en-1-ol?
The IUPAC name of (E)-5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-yl-3-tributylstannylpent-2-en-1-ol (CID 11039475) is (E)-5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-yl-3-tributylstannylpent-2-en-1-ol.
What is the SMILES notation for (E)-5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-yl-3-tributylstannylpent-2-en-1-ol?
The canonical SMILES for (E)-5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-yl-3-tributylstannylpent-2-en-1-ol is CCCC[Sn](CCCC)(CCCC)/C(=C/C(O)c1cccc2ccccc12)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-yl-3-tributylstannylpent-2-en-1-ol?
The InChIKey is AOCKZNLGKCDIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29O2Si.3C4H9.Sn/c1-21(2,3)24(4,5)23-16-9-8-15-20(22)19-14-10-12-17-11-6-7-13-18(17)19;3*1-3-4-2;/h6-7,10-15,20,22H,9,16H2,1-5H3;3*1,3-4H2,2H3;.
What are the key properties of (E)-5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-yl-3-tributylstannylpent-2-en-1-ol?
(E)-5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-yl-3-tributylstannylpent-2-en-1-ol has a molecular weight of 631.61 g/mol, XLogP of 10.60, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-yl-3-tributylstannylpent-2-en-1-ol is sourced from PubChem (CID 11039475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).