4-methyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-one

C14H24OSn — CID 14939497

IUPAC4-methyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-one
SMILESC/C(=C\CC1(C)C=CC(=O)CC1)[Sn](C)(C)C
InChIInChI=1S/C11H15O.3CH3.Sn/c1-3-4-7-11(2)8-5-10(12)6-9-11;;;;/h4-5,8H,6-7,9H2,1-2H3;3*1H3;
InChIKeyOFHIGVRLKONWPK-UHFFFAOYSA-N
MW327.06 g/mol
LogP4.13
Rot. Bonds3

About 4-methyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-one

4-methyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-one (PubChem CID 14939497) has the molecular formula C14H24OSn and a molecular weight of 327.06 g/mol. Its IUPAC name is 4-methyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name4-methyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-one
PubChem CID14939497
Molecular FormulaC14H24OSn
Molecular Weight327.06 g/mol
Exact Mass328.08
IUPAC Name4-methyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-one
SMILESC/C(=C\CC1(C)C=CC(=O)CC1)[Sn](C)(C)C
InChIInChI=1S/C11H15O.3CH3.Sn/c1-3-4-7-11(2)8-5-10(12)6-9-11;;;;/h4-5,8H,6-7,9H2,1-2H3;3*1H3;
InChIKeyOFHIGVRLKONWPK-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.06
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-one?
The IUPAC name of 4-methyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-one (CID 14939497) is 4-methyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-one.
What is the SMILES notation for 4-methyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-one?
The canonical SMILES for 4-methyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-one is C/C(=C\CC1(C)C=CC(=O)CC1)[Sn](C)(C)C.
What is the InChIKey of 4-methyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-one?
The InChIKey is OFHIGVRLKONWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O.3CH3.Sn/c1-3-4-7-11(2)8-5-10(12)6-9-11;;;;/h4-5,8H,6-7,9H2,1-2H3;3*1H3;.
What are the key properties of 4-methyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-one?
4-methyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-one has a molecular weight of 327.06 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-one is sourced from PubChem (CID 14939497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).