(5S)-4-hydroxy-5-methyl-3-[(E,2S)-2-(oxan-2-yloxy)-5-tributylstannylpent-4-enyl]oxolan-2-one

C27H50O5Sn — CID 10940820

IUPAC(5S)-4-hydroxy-5-methyl-3-[(E,2S)-2-(oxan-2-yloxy)-5-tributylstannylpent-4-enyl]oxolan-2-one
SMILESCCCC[Sn](/C=C/C[C@H](CC1C(=O)O[C@@H](C)C1O)OC1CCCCO1)(CCCC)CCCC
InChIInChI=1S/C15H23O5.3C4H9.Sn/c1-3-6-11(20-13-7-4-5-8-18-13)9-12-14(16)10(2)19-15(12)17;3*1-3-4-2;/h1,3,10-14,16H,4-9H2,2H3;3*1,3-4H2,2H3;/t10-,11+,12?,13?,14?;;;;/m0..../s1
InChIKeyZKTSDVYPNOOMAZ-KJARSACGSA-N
MW573.40 g/mol
LogP6.55
Rot. Bonds16

About (5S)-4-hydroxy-5-methyl-3-[(E,2S)-2-(oxan-2-yloxy)-5-tributylstannylpent-4-enyl]oxolan-2-one

(5S)-4-hydroxy-5-methyl-3-[(E,2S)-2-(oxan-2-yloxy)-5-tributylstannylpent-4-enyl]oxolan-2-one (PubChem CID 10940820) has the molecular formula C27H50O5Sn and a molecular weight of 573.40 g/mol. Its IUPAC name is (5S)-4-hydroxy-5-methyl-3-[(E,2S)-2-(oxan-2-yloxy)-5-tributylstannylpent-4-enyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-4-hydroxy-5-methyl-3-[(E,2S)-2-(oxan-2-yloxy)-5-tributylstannylpent-4-enyl]oxolan-2-one
PubChem CID10940820
Molecular FormulaC27H50O5Sn
Molecular Weight573.40 g/mol
Exact Mass574.27
IUPAC Name(5S)-4-hydroxy-5-methyl-3-[(E,2S)-2-(oxan-2-yloxy)-5-tributylstannylpent-4-enyl]oxolan-2-one
SMILESCCCC[Sn](/C=C/C[C@H](CC1C(=O)O[C@@H](C)C1O)OC1CCCCO1)(CCCC)CCCC
InChIInChI=1S/C15H23O5.3C4H9.Sn/c1-3-6-11(20-13-7-4-5-8-18-13)9-12-14(16)10(2)19-15(12)17;3*1-3-4-2;/h1,3,10-14,16H,4-9H2,2H3;3*1,3-4H2,2H3;/t10-,11+,12?,13?,14?;;;;/m0..../s1
InChIKeyZKTSDVYPNOOMAZ-KJARSACGSA-N
XLogP6.55
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.40
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(Z)-2,6-dimethyl-7-(4-methyl-5-oxooxolan-2-yl)-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]hept-5-enoic acid
CID 45359728
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methyl (E)-2-[(2S)-1-hydroxy-2-(oxan-2-yloxy)propyl]-9,9-dimethoxynon-3-enoate
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glucose 6-monomycolate (C80)
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glucose 6-monomycolate (C80) (Mycobacterium phlei)
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[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl 2-methyloctadec-9-enoate
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Frequently Asked Questions

What is the IUPAC name of (5S)-4-hydroxy-5-methyl-3-[(E,2S)-2-(oxan-2-yloxy)-5-tributylstannylpent-4-enyl]oxolan-2-one?
The IUPAC name of (5S)-4-hydroxy-5-methyl-3-[(E,2S)-2-(oxan-2-yloxy)-5-tributylstannylpent-4-enyl]oxolan-2-one (CID 10940820) is (5S)-4-hydroxy-5-methyl-3-[(E,2S)-2-(oxan-2-yloxy)-5-tributylstannylpent-4-enyl]oxolan-2-one.
What is the SMILES notation for (5S)-4-hydroxy-5-methyl-3-[(E,2S)-2-(oxan-2-yloxy)-5-tributylstannylpent-4-enyl]oxolan-2-one?
The canonical SMILES for (5S)-4-hydroxy-5-methyl-3-[(E,2S)-2-(oxan-2-yloxy)-5-tributylstannylpent-4-enyl]oxolan-2-one is CCCC[Sn](/C=C/C[C@H](CC1C(=O)O[C@@H](C)C1O)OC1CCCCO1)(CCCC)CCCC.
What is the InChIKey of (5S)-4-hydroxy-5-methyl-3-[(E,2S)-2-(oxan-2-yloxy)-5-tributylstannylpent-4-enyl]oxolan-2-one?
The InChIKey is ZKTSDVYPNOOMAZ-KJARSACGSA-N. The full InChI is InChI=1S/C15H23O5.3C4H9.Sn/c1-3-6-11(20-13-7-4-5-8-18-13)9-12-14(16)10(2)19-15(12)17;3*1-3-4-2;/h1,3,10-14,16H,4-9H2,2H3;3*1,3-4H2,2H3;/t10-,11+,12?,13?,14?;;;;/m0..../s1.
What are the key properties of (5S)-4-hydroxy-5-methyl-3-[(E,2S)-2-(oxan-2-yloxy)-5-tributylstannylpent-4-enyl]oxolan-2-one?
(5S)-4-hydroxy-5-methyl-3-[(E,2S)-2-(oxan-2-yloxy)-5-tributylstannylpent-4-enyl]oxolan-2-one has a molecular weight of 573.40 g/mol, XLogP of 6.55, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-hydroxy-5-methyl-3-[(E,2S)-2-(oxan-2-yloxy)-5-tributylstannylpent-4-enyl]oxolan-2-one is sourced from PubChem (CID 10940820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).