(E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enoic acid

C23H46O4Sn — CID 86675860

IUPAC(E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enoic acid
SMILESCCCC[Sn](/C=C/[C@H](OC)[C@H](C)[C@@H](OC)[C@@H](C)C(=O)O)(CCCC)CCCC
InChIInChI=1S/C11H19O4.3C4H9.Sn/c1-6-9(14-4)7(2)10(15-5)8(3)11(12)13;3*1-3-4-2;/h1,6-10H,2-5H3,(H,12,13);3*1,3-4H2,2H3;/t7-,8+,9-,10+;;;;/m0..../s1
InChIKeySYWZAQUKOXSUNF-XLHZJRMXSA-N
MW505.33 g/mol
LogP6.32
Rot. Bonds17

About (E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enoic acid

(E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enoic acid (PubChem CID 86675860) has the molecular formula C23H46O4Sn and a molecular weight of 505.33 g/mol. Its IUPAC name is (E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enoic acid.

Molecular Properties

Compound Name(E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enoic acid
PubChem CID86675860
Molecular FormulaC23H46O4Sn
Molecular Weight505.33 g/mol
Exact Mass506.24
IUPAC Name(E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enoic acid
SMILESCCCC[Sn](/C=C/[C@H](OC)[C@H](C)[C@@H](OC)[C@@H](C)C(=O)O)(CCCC)CCCC
InChIInChI=1S/C11H19O4.3C4H9.Sn/c1-6-9(14-4)7(2)10(15-5)8(3)11(12)13;3*1-3-4-2;/h1,6-10H,2-5H3,(H,12,13);3*1,3-4H2,2H3;/t7-,8+,9-,10+;;;;/m0..../s1
InChIKeySYWZAQUKOXSUNF-XLHZJRMXSA-N
XLogP6.32
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.33
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enoic acid with MolForge

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Related Compounds

methyl (4R,5S)-5-methoxy-4-methyl-3-oxohept-6-enoate
CID 17747932
methyl (2S)-2-[(1R,2S)-1,3-dihydroxy-2-methylpropyl]pent-4-enoate
CID 12016452
(3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-14-ethenyl-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
CID 15885415
2-(4-Acetyloxycyclopent-2-en-1-yl)-3-ethoxy-3-oxopropanoic acid
CID 67545681
(E)-(2R,3R,4S,5S)-3,5-Dimethoxy-2,4-dimethyl-nona-6,8-dienoic acid
CID 86675855
E-methyl 3,5-dihydroxy-7-tributylstannyl-6-heptenoate
CID 86746914
(E,2R,3R,4S,5S)-3,5-dimethoxy-2,4-dimethyloct-6-enoic acid
CID 89393706
(2R,3R,4S,5S)-3,5-dimethoxy-2,4-dimethylnona-6,8-dienoic acid
CID 123211942
3,5-Dimethoxy-2,4-dimethylnona-6,8-dienoic acid
CID 123831160
Prop-2-enyl 2-ethyl-5-(2-methylbutanoyloxy)hept-6-enoate
CID 172546310
5-Hydroxy-2-methyl-3-oxo-7-tributylstannylhept-6-enoic acid
CID 173358410
(2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enoic acid
CID 173378699

Frequently Asked Questions

What is the IUPAC name of (E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enoic acid?
The IUPAC name of (E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enoic acid (CID 86675860) is (E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enoic acid.
What is the SMILES notation for (E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enoic acid?
The canonical SMILES for (E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enoic acid is CCCC[Sn](/C=C/[C@H](OC)[C@H](C)[C@@H](OC)[C@@H](C)C(=O)O)(CCCC)CCCC.
What is the InChIKey of (E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enoic acid?
The InChIKey is SYWZAQUKOXSUNF-XLHZJRMXSA-N. The full InChI is InChI=1S/C11H19O4.3C4H9.Sn/c1-6-9(14-4)7(2)10(15-5)8(3)11(12)13;3*1-3-4-2;/h1,6-10H,2-5H3,(H,12,13);3*1,3-4H2,2H3;/t7-,8+,9-,10+;;;;/m0..../s1.
What are the key properties of (E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enoic acid?
(E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enoic acid has a molecular weight of 505.33 g/mol, XLogP of 6.32, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enoic acid is sourced from PubChem (CID 86675860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).