methyl (E)-3,5-dihydroxy-7-tributylstannylhept-6-enoate

C20H40O4Sn — CID 86746914

IUPACmethyl (E)-3,5-dihydroxy-7-tributylstannylhept-6-enoate
SMILESCCCC[Sn](/C=C/C(O)CC(O)CC(=O)OC)(CCCC)CCCC
InChIInChI=1S/C8H13O4.3C4H9.Sn/c1-3-6(9)4-7(10)5-8(11)12-2;3*1-3-4-2;/h1,3,6-7,9-10H,4-5H2,2H3;3*1,3-4H2,2H3;
InChIKeyRLCRVITZQAIREE-UHFFFAOYSA-N
MW463.25 g/mol
LogP4.61
Rot. Bonds15

About methyl (E)-3,5-dihydroxy-7-tributylstannylhept-6-enoate

methyl (E)-3,5-dihydroxy-7-tributylstannylhept-6-enoate (PubChem CID 86746914) has the molecular formula C20H40O4Sn and a molecular weight of 463.25 g/mol. Its IUPAC name is methyl (E)-3,5-dihydroxy-7-tributylstannylhept-6-enoate.

Molecular Properties

Compound Namemethyl (E)-3,5-dihydroxy-7-tributylstannylhept-6-enoate
PubChem CID86746914
Molecular FormulaC20H40O4Sn
Molecular Weight463.25 g/mol
Exact Mass464.19
IUPAC Namemethyl (E)-3,5-dihydroxy-7-tributylstannylhept-6-enoate
SMILESCCCC[Sn](/C=C/C(O)CC(O)CC(=O)OC)(CCCC)CCCC
InChIInChI=1S/C8H13O4.3C4H9.Sn/c1-3-6(9)4-7(10)5-8(11)12-2;3*1-3-4-2;/h1,3,6-7,9-10H,4-5H2,2H3;3*1,3-4H2,2H3;
InChIKeyRLCRVITZQAIREE-UHFFFAOYSA-N
XLogP4.61
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.25
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (E)-3,5-dihydroxy-7-tributylstannylhept-6-enoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3,5-dihydroxy-7-tributylstannylhept-6-enoate?
The IUPAC name of methyl (E)-3,5-dihydroxy-7-tributylstannylhept-6-enoate (CID 86746914) is methyl (E)-3,5-dihydroxy-7-tributylstannylhept-6-enoate.
What is the SMILES notation for methyl (E)-3,5-dihydroxy-7-tributylstannylhept-6-enoate?
The canonical SMILES for methyl (E)-3,5-dihydroxy-7-tributylstannylhept-6-enoate is CCCC[Sn](/C=C/C(O)CC(O)CC(=O)OC)(CCCC)CCCC.
What is the InChIKey of methyl (E)-3,5-dihydroxy-7-tributylstannylhept-6-enoate?
The InChIKey is RLCRVITZQAIREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O4.3C4H9.Sn/c1-3-6(9)4-7(10)5-8(11)12-2;3*1-3-4-2;/h1,3,6-7,9-10H,4-5H2,2H3;3*1,3-4H2,2H3;.
What are the key properties of methyl (E)-3,5-dihydroxy-7-tributylstannylhept-6-enoate?
methyl (E)-3,5-dihydroxy-7-tributylstannylhept-6-enoate has a molecular weight of 463.25 g/mol, XLogP of 4.61, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3,5-dihydroxy-7-tributylstannylhept-6-enoate is sourced from PubChem (CID 86746914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).