tributyl-[[(E,4S,5S,6R)-4,6-dimethyl-5-(phenylmethoxymethoxy)non-2-en-4-yl]oxymethyl]stannane

C32H58O3Sn — CID 14194132

IUPACtributyl-[[(E,4S,5S,6R)-4,6-dimethyl-5-(phenylmethoxymethoxy)non-2-en-4-yl]oxymethyl]stannane
SMILESC/C=C/[C@](C)(OC[Sn](CCCC)(CCCC)CCCC)[C@@H](OCOCc1ccccc1)[C@H](C)CCC
InChIInChI=1S/C20H31O3.3C4H9.Sn/c1-6-11-17(3)19(20(4,21-5)14-7-2)23-16-22-15-18-12-9-8-10-13-18;3*1-3-4-2;/h7-10,12-14,17,19H,5-6,11,15-16H2,1-4H3;3*1,3-4H2,2H3;/b14-7+;;;;/t17-,19+,20+;;;;/m1..../s1
InChIKeyQKIOIOJPQFKBIB-IWESLANJSA-N
MW609.52 g/mol
LogP9.72
Rot. Bonds22

About tributyl-[[(E,4S,5S,6R)-4,6-dimethyl-5-(phenylmethoxymethoxy)non-2-en-4-yl]oxymethyl]stannane

tributyl-[[(E,4S,5S,6R)-4,6-dimethyl-5-(phenylmethoxymethoxy)non-2-en-4-yl]oxymethyl]stannane (PubChem CID 14194132) has the molecular formula C32H58O3Sn and a molecular weight of 609.52 g/mol. Its IUPAC name is tributyl-[[(E,4S,5S,6R)-4,6-dimethyl-5-(phenylmethoxymethoxy)non-2-en-4-yl]oxymethyl]stannane.

Molecular Properties

Compound Nametributyl-[[(E,4S,5S,6R)-4,6-dimethyl-5-(phenylmethoxymethoxy)non-2-en-4-yl]oxymethyl]stannane
PubChem CID14194132
Molecular FormulaC32H58O3Sn
Molecular Weight609.52 g/mol
Exact Mass610.34
IUPAC Nametributyl-[[(E,4S,5S,6R)-4,6-dimethyl-5-(phenylmethoxymethoxy)non-2-en-4-yl]oxymethyl]stannane
SMILESC/C=C/[C@](C)(OC[Sn](CCCC)(CCCC)CCCC)[C@@H](OCOCc1ccccc1)[C@H](C)CCC
InChIInChI=1S/C20H31O3.3C4H9.Sn/c1-6-11-17(3)19(20(4,21-5)14-7-2)23-16-22-15-18-12-9-8-10-13-18;3*1-3-4-2;/h7-10,12-14,17,19H,5-6,11,15-16H2,1-4H3;3*1,3-4H2,2H3;/b14-7+;;;;/t17-,19+,20+;;;;/m1..../s1
InChIKeyQKIOIOJPQFKBIB-IWESLANJSA-N
XLogP9.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.52
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tributyl-[[(E,4S,5S,6R)-4,6-dimethyl-5-(phenylmethoxymethoxy)non-2-en-4-yl]oxymethyl]stannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tributyl-[(E,1R)-1-(phenylmethoxymethoxy)but-2-enyl]stannane
CID 14322207
oct-1-en-3-yloxymethoxymethylbenzene
CID 561879
(E,2R,5S,6R)-2,4,6-trimethyl-5-(phenylmethoxymethoxy)non-3-en-1-ol
CID 14194136
tributyl-[(4S)-4-phenylmethoxypent-2-enyl]stannane
CID 71354444
(3S)-3-(phenylmethoxymethoxy)tetradecanoic acid
CID 56629457
[(2R)-2-methylheptoxy]methylbenzene
CID 126666980
(E)-N,N-dibenzyl-2-methyl-6-(tributylstannylmethoxy)hex-4-en-3-amine
CID 14660998
tributyl(1-phenylmethoxypenta-2,3-dien-2-yl)stannane
CID 10671765
(E)-3-phenylmethoxy-8-tributylstannyloct-6-enal
CID 15189674
2-phenylmethoxy-1-tributylstannylethanol
CID 10551127
[(2S)-2-ethenylhexoxy]methylbenzene
CID 50898080
N-[1-phenyl-3-(tributylstannylmethoxy)propyl]ethanimine
CID 160812472

Frequently Asked Questions

What is the IUPAC name of tributyl-[[(E,4S,5S,6R)-4,6-dimethyl-5-(phenylmethoxymethoxy)non-2-en-4-yl]oxymethyl]stannane?
The IUPAC name of tributyl-[[(E,4S,5S,6R)-4,6-dimethyl-5-(phenylmethoxymethoxy)non-2-en-4-yl]oxymethyl]stannane (CID 14194132) is tributyl-[[(E,4S,5S,6R)-4,6-dimethyl-5-(phenylmethoxymethoxy)non-2-en-4-yl]oxymethyl]stannane.
What is the SMILES notation for tributyl-[[(E,4S,5S,6R)-4,6-dimethyl-5-(phenylmethoxymethoxy)non-2-en-4-yl]oxymethyl]stannane?
The canonical SMILES for tributyl-[[(E,4S,5S,6R)-4,6-dimethyl-5-(phenylmethoxymethoxy)non-2-en-4-yl]oxymethyl]stannane is C/C=C/[C@](C)(OC[Sn](CCCC)(CCCC)CCCC)[C@@H](OCOCc1ccccc1)[C@H](C)CCC.
What is the InChIKey of tributyl-[[(E,4S,5S,6R)-4,6-dimethyl-5-(phenylmethoxymethoxy)non-2-en-4-yl]oxymethyl]stannane?
The InChIKey is QKIOIOJPQFKBIB-IWESLANJSA-N. The full InChI is InChI=1S/C20H31O3.3C4H9.Sn/c1-6-11-17(3)19(20(4,21-5)14-7-2)23-16-22-15-18-12-9-8-10-13-18;3*1-3-4-2;/h7-10,12-14,17,19H,5-6,11,15-16H2,1-4H3;3*1,3-4H2,2H3;/b14-7+;;;;/t17-,19+,20+;;;;/m1..../s1.
What are the key properties of tributyl-[[(E,4S,5S,6R)-4,6-dimethyl-5-(phenylmethoxymethoxy)non-2-en-4-yl]oxymethyl]stannane?
tributyl-[[(E,4S,5S,6R)-4,6-dimethyl-5-(phenylmethoxymethoxy)non-2-en-4-yl]oxymethyl]stannane has a molecular weight of 609.52 g/mol, XLogP of 9.72, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[[(E,4S,5S,6R)-4,6-dimethyl-5-(phenylmethoxymethoxy)non-2-en-4-yl]oxymethyl]stannane is sourced from PubChem (CID 14194132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).