2,4,4-tributyl-3-stannylcyclopent-2-en-1-one

C17H32OSn — CID 174445597

IUPAC2,4,4-tributyl-3-stannylcyclopent-2-en-1-one
SMILESCCCCC1=C([SnH3])C(CCCC)(CCCC)CC1=O
InChIInChI=1S/C17H29O.Sn.3H/c1-4-7-10-15-13-17(11-8-5-2,12-9-6-3)14-16(15)18;;;;/h4-12,14H2,1-3H3;;;;
InChIKeyWNPZSBZWODYFMA-UHFFFAOYSA-N
MW371.15 g/mol
LogP4.14
Rot. Bonds9

About 2,4,4-tributyl-3-stannylcyclopent-2-en-1-one

2,4,4-tributyl-3-stannylcyclopent-2-en-1-one (PubChem CID 174445597) has the molecular formula C17H32OSn and a molecular weight of 371.15 g/mol. Its IUPAC name is 2,4,4-tributyl-3-stannylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2,4,4-tributyl-3-stannylcyclopent-2-en-1-one
PubChem CID174445597
Molecular FormulaC17H32OSn
Molecular Weight371.15 g/mol
Exact Mass372.15
IUPAC Name2,4,4-tributyl-3-stannylcyclopent-2-en-1-one
SMILESCCCCC1=C([SnH3])C(CCCC)(CCCC)CC1=O
InChIInChI=1S/C17H29O.Sn.3H/c1-4-7-10-15-13-17(11-8-5-2,12-9-6-3)14-16(15)18;;;;/h4-12,14H2,1-3H3;;;;
InChIKeyWNPZSBZWODYFMA-UHFFFAOYSA-N
XLogP4.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.15
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 519382
(+-)-Cashmeran
CID 92292
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CID 83177
1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)butane-1,3-dione
CID 596923
2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone
CID 596567
2,3,4,5,6,7,8,9,10,11,12,13-Dodecahydro-3-methyl-1H-cyclopent-1-ylcyclododecen-1-one
CID 92615
2-Butyl-3,5,5-trimethyl-2-cyclohexen-1-one
CID 4100747
1-Pentanone, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
CID 173536
2,4,4-Trimethyl-3-(3-methylbutyl)cyclohex-2-enone
CID 586301
3-Acetyl-2,4,4-trimethylcyclohex-2-en-1-one
CID 601844
2,3,5-trimethyl-6-[(3S,7S,11S)-3,7,11,15-tetramethylhexadecyl]cyclohexa-2,5-diene-1,4-dione
CID 46184404
2-Cyclohexen-1-one, triethyltrimethyl-
CID 111383

Frequently Asked Questions

What is the IUPAC name of 2,4,4-tributyl-3-stannylcyclopent-2-en-1-one?
The IUPAC name of 2,4,4-tributyl-3-stannylcyclopent-2-en-1-one (CID 174445597) is 2,4,4-tributyl-3-stannylcyclopent-2-en-1-one.
What is the SMILES notation for 2,4,4-tributyl-3-stannylcyclopent-2-en-1-one?
The canonical SMILES for 2,4,4-tributyl-3-stannylcyclopent-2-en-1-one is CCCCC1=C([SnH3])C(CCCC)(CCCC)CC1=O.
What is the InChIKey of 2,4,4-tributyl-3-stannylcyclopent-2-en-1-one?
The InChIKey is WNPZSBZWODYFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29O.Sn.3H/c1-4-7-10-15-13-17(11-8-5-2,12-9-6-3)14-16(15)18;;;;/h4-12,14H2,1-3H3;;;;.
What are the key properties of 2,4,4-tributyl-3-stannylcyclopent-2-en-1-one?
2,4,4-tributyl-3-stannylcyclopent-2-en-1-one has a molecular weight of 371.15 g/mol, XLogP of 4.14, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-tributyl-3-stannylcyclopent-2-en-1-one is sourced from PubChem (CID 174445597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).