[(5E,7S)-4-methylidene-10-oxo-7-propan-2-ylcyclodec-5-en-1-yl]-phenyltin

C20H26OSn — CID 88606811

IUPAC[(5E,7S)-4-methylidene-10-oxo-7-propan-2-ylcyclodec-5-en-1-yl]-phenyltin
SMILESC=C1/C=C/[C@H](C(C)C)CCC(=O)C([Sn]c2ccccc2)CC1
InChIInChI=1S/C14H21O.C6H5.Sn/c1-11(2)13-8-7-12(3)5-4-6-14(15)10-9-13;1-2-4-6-5-3-1;/h6-8,11,13H,3-5,9-10H2,1-2H3;1-5H;/b8-7+;;/t13-;;/m0../s1
InChIKeyPXHFNJCDVPLIGB-UWDDQERWSA-N
MW401.14 g/mol
LogP4.33
Rot. Bonds3

About [(5E,7S)-4-methylidene-10-oxo-7-propan-2-ylcyclodec-5-en-1-yl]-phenyltin

[(5E,7S)-4-methylidene-10-oxo-7-propan-2-ylcyclodec-5-en-1-yl]-phenyltin (PubChem CID 88606811) has the molecular formula C20H26OSn and a molecular weight of 401.14 g/mol. Its IUPAC name is [(5E,7S)-4-methylidene-10-oxo-7-propan-2-ylcyclodec-5-en-1-yl]-phenyltin.

Molecular Properties

Compound Name[(5E,7S)-4-methylidene-10-oxo-7-propan-2-ylcyclodec-5-en-1-yl]-phenyltin
PubChem CID88606811
Molecular FormulaC20H26OSn
Molecular Weight401.14 g/mol
Exact Mass402.10
IUPAC Name[(5E,7S)-4-methylidene-10-oxo-7-propan-2-ylcyclodec-5-en-1-yl]-phenyltin
SMILESC=C1/C=C/[C@H](C(C)C)CCC(=O)C([Sn]c2ccccc2)CC1
InChIInChI=1S/C14H21O.C6H5.Sn/c1-11(2)13-8-7-12(3)5-4-6-14(15)10-9-13;1-2-4-6-5-3-1;/h6-8,11,13H,3-5,9-10H2,1-2H3;1-5H;/b8-7+;;/t13-;;/m0../s1
InChIKeyPXHFNJCDVPLIGB-UWDDQERWSA-N
XLogP4.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.14
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(5E,7S)-4-methylidene-10-oxo-7-propan-2-ylcyclodec-5-en-1-yl]-phenyltin?
The IUPAC name of [(5E,7S)-4-methylidene-10-oxo-7-propan-2-ylcyclodec-5-en-1-yl]-phenyltin (CID 88606811) is [(5E,7S)-4-methylidene-10-oxo-7-propan-2-ylcyclodec-5-en-1-yl]-phenyltin.
What is the SMILES notation for [(5E,7S)-4-methylidene-10-oxo-7-propan-2-ylcyclodec-5-en-1-yl]-phenyltin?
The canonical SMILES for [(5E,7S)-4-methylidene-10-oxo-7-propan-2-ylcyclodec-5-en-1-yl]-phenyltin is C=C1/C=C/[C@H](C(C)C)CCC(=O)C([Sn]c2ccccc2)CC1.
What is the InChIKey of [(5E,7S)-4-methylidene-10-oxo-7-propan-2-ylcyclodec-5-en-1-yl]-phenyltin?
The InChIKey is PXHFNJCDVPLIGB-UWDDQERWSA-N. The full InChI is InChI=1S/C14H21O.C6H5.Sn/c1-11(2)13-8-7-12(3)5-4-6-14(15)10-9-13;1-2-4-6-5-3-1;/h6-8,11,13H,3-5,9-10H2,1-2H3;1-5H;/b8-7+;;/t13-;;/m0../s1.
What are the key properties of [(5E,7S)-4-methylidene-10-oxo-7-propan-2-ylcyclodec-5-en-1-yl]-phenyltin?
[(5E,7S)-4-methylidene-10-oxo-7-propan-2-ylcyclodec-5-en-1-yl]-phenyltin has a molecular weight of 401.14 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E,7S)-4-methylidene-10-oxo-7-propan-2-ylcyclodec-5-en-1-yl]-phenyltin is sourced from PubChem (CID 88606811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).