(2R,6E,8R,9S,10Z)-8-(methoxymethoxy)-7,9-dimethyl-11-tributylstannylundeca-6,10-dien-2-ol

C27H54O3Sn — CID 16754601

IUPAC(2R,6E,8R,9S,10Z)-8-(methoxymethoxy)-7,9-dimethyl-11-tributylstannylundeca-6,10-dien-2-ol
SMILESCCCC[Sn](/C=C\[C@H](C)[C@@H](OCOC)/C(C)=C/CCC[C@@H](C)O)(CCCC)CCCC
InChIInChI=1S/C15H27O3.3C4H9.Sn/c1-6-12(2)15(18-11-17-5)13(3)9-7-8-10-14(4)16;3*1-3-4-2;/h1,6,9,12,14-16H,7-8,10-11H2,2-5H3;3*1,3-4H2,2H3;/b6-1?,13-9+;;;;/t12-,14+,15+;;;;/m0..../s1
InChIKeyIDLMCHRWLOFJKG-OKSXAZFMSA-N
MW545.44 g/mol
LogP8.05
Rot. Bonds20

About (2R,6E,8R,9S,10Z)-8-(methoxymethoxy)-7,9-dimethyl-11-tributylstannylundeca-6,10-dien-2-ol

(2R,6E,8R,9S,10Z)-8-(methoxymethoxy)-7,9-dimethyl-11-tributylstannylundeca-6,10-dien-2-ol (PubChem CID 16754601) has the molecular formula C27H54O3Sn and a molecular weight of 545.44 g/mol. Its IUPAC name is (2R,6E,8R,9S,10Z)-8-(methoxymethoxy)-7,9-dimethyl-11-tributylstannylundeca-6,10-dien-2-ol.

Molecular Properties

Compound Name(2R,6E,8R,9S,10Z)-8-(methoxymethoxy)-7,9-dimethyl-11-tributylstannylundeca-6,10-dien-2-ol
PubChem CID16754601
Molecular FormulaC27H54O3Sn
Molecular Weight545.44 g/mol
Exact Mass546.31
IUPAC Name(2R,6E,8R,9S,10Z)-8-(methoxymethoxy)-7,9-dimethyl-11-tributylstannylundeca-6,10-dien-2-ol
SMILESCCCC[Sn](/C=C\[C@H](C)[C@@H](OCOC)/C(C)=C/CCC[C@@H](C)O)(CCCC)CCCC
InChIInChI=1S/C15H27O3.3C4H9.Sn/c1-6-12(2)15(18-11-17-5)13(3)9-7-8-10-14(4)16;3*1-3-4-2;/h1,6,9,12,14-16H,7-8,10-11H2,2-5H3;3*1,3-4H2,2H3;/b6-1?,13-9+;;;;/t12-,14+,15+;;;;/m0..../s1
InChIKeyIDLMCHRWLOFJKG-OKSXAZFMSA-N
XLogP8.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.44
LogP ≤ 58.05
H-Bond Donors ≤ 51
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'}

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Related Compounds

methyl (Z,7R)-7-hydroxy-2-[(E,1R,2S)-1-(methoxymethoxy)-2-methyl-4-tributylstannylbut-3-enyl]oct-2-enoate
CID 11353793
tributyl-[(1E,3S,5E,7S,8R,9R)-8-methoxy-9-(methoxymethoxy)-3,5,7-trimethyldeca-1,5-dienyl]stannane
CID 177472834
tributyl-[(Z)-4,4-diethoxy-3-methylbut-1-enyl]stannane
CID 14532960
(4E,6R,7R,8E,10R)-7-(methoxymethoxy)-6,8,10-trimethyltrideca-4,8-dienal
CID 11150636
tributyl-[(E)-3-ethoxybut-1-enyl]stannane
CID 10340261
(E,1R,2R)-1-[(1S,2R)-2-[(2S,3S)-3-methoxypentan-2-yl]cyclopropyl]-2-methyl-4-tributylstannylbut-3-en-1-ol
CID 73293714
[(E)-4-tributylstannylbut-3-en-2-yl] acetate
CID 14112699
tributyl-[(Z)-3,3-diethoxyprop-1-enyl]stannane
CID 14592139
trimethyl-[(E)-1-tributylstannyloct-1-en-3-yl]oxysilane
CID 19846630
hexan-2-ol;zirconium
CID 174835617
methyl (Z)-3-methyl-5-tributylstannylpent-4-enoate
CID 139263828
(6R,7R)-6,7-bis(methoxymethoxy)nonan-2-ol
CID 72737093

Frequently Asked Questions

What is the IUPAC name of (2R,6E,8R,9S,10Z)-8-(methoxymethoxy)-7,9-dimethyl-11-tributylstannylundeca-6,10-dien-2-ol?
The IUPAC name of (2R,6E,8R,9S,10Z)-8-(methoxymethoxy)-7,9-dimethyl-11-tributylstannylundeca-6,10-dien-2-ol (CID 16754601) is (2R,6E,8R,9S,10Z)-8-(methoxymethoxy)-7,9-dimethyl-11-tributylstannylundeca-6,10-dien-2-ol.
What is the SMILES notation for (2R,6E,8R,9S,10Z)-8-(methoxymethoxy)-7,9-dimethyl-11-tributylstannylundeca-6,10-dien-2-ol?
The canonical SMILES for (2R,6E,8R,9S,10Z)-8-(methoxymethoxy)-7,9-dimethyl-11-tributylstannylundeca-6,10-dien-2-ol is CCCC[Sn](/C=C\[C@H](C)[C@@H](OCOC)/C(C)=C/CCC[C@@H](C)O)(CCCC)CCCC.
What is the InChIKey of (2R,6E,8R,9S,10Z)-8-(methoxymethoxy)-7,9-dimethyl-11-tributylstannylundeca-6,10-dien-2-ol?
The InChIKey is IDLMCHRWLOFJKG-OKSXAZFMSA-N. The full InChI is InChI=1S/C15H27O3.3C4H9.Sn/c1-6-12(2)15(18-11-17-5)13(3)9-7-8-10-14(4)16;3*1-3-4-2;/h1,6,9,12,14-16H,7-8,10-11H2,2-5H3;3*1,3-4H2,2H3;/b6-1?,13-9+;;;;/t12-,14+,15+;;;;/m0..../s1.
What are the key properties of (2R,6E,8R,9S,10Z)-8-(methoxymethoxy)-7,9-dimethyl-11-tributylstannylundeca-6,10-dien-2-ol?
(2R,6E,8R,9S,10Z)-8-(methoxymethoxy)-7,9-dimethyl-11-tributylstannylundeca-6,10-dien-2-ol has a molecular weight of 545.44 g/mol, XLogP of 8.05, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6E,8R,9S,10Z)-8-(methoxymethoxy)-7,9-dimethyl-11-tributylstannylundeca-6,10-dien-2-ol is sourced from PubChem (CID 16754601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).