tert-butyl-[6-(1-hydroxy-3-methylbutyl)naphthalen-2-yl]tin

C19H26OSn — CID 141461501

IUPACtert-butyl-[6-(1-hydroxy-3-methylbutyl)naphthalen-2-yl]tin
SMILESCC(C)CC(O)c1ccc2cc([Sn]C(C)(C)C)ccc2c1
InChIInChI=1S/C15H17O.C4H9.Sn/c1-11(2)9-15(16)14-8-7-12-5-3-4-6-13(12)10-14;1-4(2)3;/h4-8,10-11,15-16H,9H2,1-2H3;1-3H3;
InChIKeyDKSIJSAJINDGLO-UHFFFAOYSA-N
MW389.13 g/mol
LogP4.47
Rot. Bonds4

About tert-butyl-[6-(1-hydroxy-3-methylbutyl)naphthalen-2-yl]tin

tert-butyl-[6-(1-hydroxy-3-methylbutyl)naphthalen-2-yl]tin (PubChem CID 141461501) has the molecular formula C19H26OSn and a molecular weight of 389.13 g/mol. Its IUPAC name is tert-butyl-[6-(1-hydroxy-3-methylbutyl)naphthalen-2-yl]tin.

Molecular Properties

Compound Nametert-butyl-[6-(1-hydroxy-3-methylbutyl)naphthalen-2-yl]tin
PubChem CID141461501
Molecular FormulaC19H26OSn
Molecular Weight389.13 g/mol
Exact Mass390.10
IUPAC Nametert-butyl-[6-(1-hydroxy-3-methylbutyl)naphthalen-2-yl]tin
SMILESCC(C)CC(O)c1ccc2cc([Sn]C(C)(C)C)ccc2c1
InChIInChI=1S/C15H17O.C4H9.Sn/c1-11(2)9-15(16)14-8-7-12-5-3-4-6-13(12)10-14;1-4(2)3;/h4-8,10-11,15-16H,9H2,1-2H3;1-3H3;
InChIKeyDKSIJSAJINDGLO-UHFFFAOYSA-N
XLogP4.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.13
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 62717256
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-ol
CID 156849313
(1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol
CID 124562243
1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 60929106
tert-butyl-(7-ethylnaphthalen-2-yl)tin
CID 140986663
1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
CID 58450006
1-(4-fluorophenyl)-3-methylbutan-1-ol
CID 60797473
1-[3-(dimethylamino)phenyl]-3-methylbutan-1-ol
CID 105076156
(1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
CID 67342546
(1R,3R)-1,3-bis(4-tert-butylphenyl)propane-1,3-diol
CID 177450380
2-(2,2-dimethylpropylamino)-1-naphthalen-2-ylethanol
CID 61167220
1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbutan-1-ol
CID 63019372

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[6-(1-hydroxy-3-methylbutyl)naphthalen-2-yl]tin?
The IUPAC name of tert-butyl-[6-(1-hydroxy-3-methylbutyl)naphthalen-2-yl]tin (CID 141461501) is tert-butyl-[6-(1-hydroxy-3-methylbutyl)naphthalen-2-yl]tin.
What is the SMILES notation for tert-butyl-[6-(1-hydroxy-3-methylbutyl)naphthalen-2-yl]tin?
The canonical SMILES for tert-butyl-[6-(1-hydroxy-3-methylbutyl)naphthalen-2-yl]tin is CC(C)CC(O)c1ccc2cc([Sn]C(C)(C)C)ccc2c1.
What is the InChIKey of tert-butyl-[6-(1-hydroxy-3-methylbutyl)naphthalen-2-yl]tin?
The InChIKey is DKSIJSAJINDGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17O.C4H9.Sn/c1-11(2)9-15(16)14-8-7-12-5-3-4-6-13(12)10-14;1-4(2)3;/h4-8,10-11,15-16H,9H2,1-2H3;1-3H3;.
What are the key properties of tert-butyl-[6-(1-hydroxy-3-methylbutyl)naphthalen-2-yl]tin?
tert-butyl-[6-(1-hydroxy-3-methylbutyl)naphthalen-2-yl]tin has a molecular weight of 389.13 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[6-(1-hydroxy-3-methylbutyl)naphthalen-2-yl]tin is sourced from PubChem (CID 141461501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).