(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-ol

C21H44OSn — CID 14248080

IUPAC(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-ol
SMILESCCCC[C@](C)(O)C/C=C/[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C9H17O.3C4H9.Sn/c1-4-6-8-9(3,10)7-5-2;3*1-3-4-2;/h2,5,10H,4,6-8H2,1,3H3;3*1,3-4H2,2H3;/t9-;;;;/m1..../s1
InChIKeyMEHZQZSWAWWYIC-RASHCQHBSA-N
MW431.29 g/mol
LogP7.26
Rot. Bonds15

About (E,4S)-4-methyl-1-tributylstannyloct-1-en-4-ol

(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-ol (PubChem CID 14248080) has the molecular formula C21H44OSn and a molecular weight of 431.29 g/mol. Its IUPAC name is (E,4S)-4-methyl-1-tributylstannyloct-1-en-4-ol.

Molecular Properties

Compound Name(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-ol
PubChem CID14248080
Molecular FormulaC21H44OSn
Molecular Weight431.29 g/mol
Exact Mass432.24
IUPAC Name(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-ol
SMILESCCCC[C@](C)(O)C/C=C/[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C9H17O.3C4H9.Sn/c1-4-6-8-9(3,10)7-5-2;3*1-3-4-2;/h2,5,10H,4,6-8H2,1,3H3;3*1,3-4H2,2H3;/t9-;;;;/m1..../s1
InChIKeyMEHZQZSWAWWYIC-RASHCQHBSA-N
XLogP7.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.29
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-4-methyl-1-tributylstannyloct-1-en-4-ol
CID 173361577
tributyl-[(Z)-2-tributylstannylethenyl]stannane
CID 12858946
[(E)-4-(dimethoxymethyl)-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane
CID 12786207
(E)-4-tributylstannylbut-3-enoic acid
CID 11767530
tributyl-[(1E)-4-methylpenta-1,4-dienyl]stannane
CID 11257245
trimethyl-[(1E,5E)-4-methyl-1-tributylstannylocta-1,5-dien-4-yl]oxysilane
CID 23331458
sodium;hydride;3-methylheptan-3-ol
CID 175497399
5-hydroxy-2,5-dimethylnon-2-enal
CID 91294646
13-methylheptacosan-13-ol
CID 87343529
ethenylstannane;5-methyl-8-tributylstannyl-5-trimethylsilyloxyoct-7-ene-2-sulfonic acid
CID 173440768
4,7-dimethylpentadecane-4,7-diol
CID 89335583
4-hydroxy-4-methyloctanoic acid
CID 18462846

Frequently Asked Questions

What is the IUPAC name of (E,4S)-4-methyl-1-tributylstannyloct-1-en-4-ol?
The IUPAC name of (E,4S)-4-methyl-1-tributylstannyloct-1-en-4-ol (CID 14248080) is (E,4S)-4-methyl-1-tributylstannyloct-1-en-4-ol.
What is the SMILES notation for (E,4S)-4-methyl-1-tributylstannyloct-1-en-4-ol?
The canonical SMILES for (E,4S)-4-methyl-1-tributylstannyloct-1-en-4-ol is CCCC[C@](C)(O)C/C=C/[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of (E,4S)-4-methyl-1-tributylstannyloct-1-en-4-ol?
The InChIKey is MEHZQZSWAWWYIC-RASHCQHBSA-N. The full InChI is InChI=1S/C9H17O.3C4H9.Sn/c1-4-6-8-9(3,10)7-5-2;3*1-3-4-2;/h2,5,10H,4,6-8H2,1,3H3;3*1,3-4H2,2H3;/t9-;;;;/m1..../s1.
What are the key properties of (E,4S)-4-methyl-1-tributylstannyloct-1-en-4-ol?
(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-ol has a molecular weight of 431.29 g/mol, XLogP of 7.26, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S)-4-methyl-1-tributylstannyloct-1-en-4-ol is sourced from PubChem (CID 14248080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).