3,4-dimethyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-en-1-one

C14H24OSn — CID 134875362

IUPAC3,4-dimethyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-en-1-one
SMILESCC1=CC(=O)CC1(C)C/C=C(\C)[Sn](C)(C)C
InChIInChI=1S/C11H15O.3CH3.Sn/c1-4-5-6-11(3)8-10(12)7-9(11)2;;;;/h5,7H,6,8H2,1-3H3;3*1H3;
InChIKeyFBYNEZLFNVPXRJ-UHFFFAOYSA-N
MW327.06 g/mol
LogP4.13
Rot. Bonds3

About 3,4-dimethyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-en-1-one

3,4-dimethyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-en-1-one (PubChem CID 134875362) has the molecular formula C14H24OSn and a molecular weight of 327.06 g/mol. Its IUPAC name is 3,4-dimethyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3,4-dimethyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-en-1-one
PubChem CID134875362
Molecular FormulaC14H24OSn
Molecular Weight327.06 g/mol
Exact Mass328.08
IUPAC Name3,4-dimethyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-en-1-one
SMILESCC1=CC(=O)CC1(C)C/C=C(\C)[Sn](C)(C)C
InChIInChI=1S/C11H15O.3CH3.Sn/c1-4-5-6-11(3)8-10(12)7-9(11)2;;;;/h5,7H,6,8H2,1-3H3;3*1H3;
InChIKeyFBYNEZLFNVPXRJ-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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Related Compounds

Isophorone
CID 6544
beta-Damascenone
CID 5366074
Damascenone
CID 62775
1,4-Dimethyl-3-cyclohexenyl methyl ketone
CID 65289
2,6,6-Trimethyl-2-cyclohexen-1-one
CID 88332
6-Octen-3-one, 2,4,4,7-tetramethyl-
CID 9815427
3,4-Dimethylcyclopent-2-en-1-one
CID 121710
beta-Damascenone, (2Z)-
CID 12309006
3,5,5-Trimethyl-2-cyclopenten-1-one
CID 32240
2-Cyclohexen-1-one, 3,6,6-trimethyl-
CID 141033
6,6-Dimethyl-2-cyclohexen-1-one
CID 11788302
3-Penten-2-one, 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
CID 6436969

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-en-1-one?
The IUPAC name of 3,4-dimethyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-en-1-one (CID 134875362) is 3,4-dimethyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-en-1-one.
What is the SMILES notation for 3,4-dimethyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-en-1-one?
The canonical SMILES for 3,4-dimethyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-en-1-one is CC1=CC(=O)CC1(C)C/C=C(\C)[Sn](C)(C)C.
What is the InChIKey of 3,4-dimethyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-en-1-one?
The InChIKey is FBYNEZLFNVPXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O.3CH3.Sn/c1-4-5-6-11(3)8-10(12)7-9(11)2;;;;/h5,7H,6,8H2,1-3H3;3*1H3;.
What are the key properties of 3,4-dimethyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-en-1-one?
3,4-dimethyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-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 3,4-dimethyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-en-1-one is sourced from PubChem (CID 134875362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).