6-methyl-3-tributylstannylcyclohex-2-en-1-one

C19H36OSn — CID 138965334

IUPAC6-methyl-3-tributylstannylcyclohex-2-en-1-one
SMILESCCCC[Sn](CCCC)(CCCC)C1=CC(=O)C(C)CC1
InChIInChI=1S/C7H9O.3C4H9.Sn/c1-6-4-2-3-5-7(6)8;3*1-3-4-2;/h5-6H,2,4H2,1H3;3*1,3-4H2,2H3;
InChIKeyHKQBBMGOZZBYAT-UHFFFAOYSA-N
MW399.21 g/mol
LogP6.30
Rot. Bonds10

About 6-methyl-3-tributylstannylcyclohex-2-en-1-one

6-methyl-3-tributylstannylcyclohex-2-en-1-one (PubChem CID 138965334) has the molecular formula C19H36OSn and a molecular weight of 399.21 g/mol. Its IUPAC name is 6-methyl-3-tributylstannylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6-methyl-3-tributylstannylcyclohex-2-en-1-one
PubChem CID138965334
Molecular FormulaC19H36OSn
Molecular Weight399.21 g/mol
Exact Mass400.18
IUPAC Name6-methyl-3-tributylstannylcyclohex-2-en-1-one
SMILESCCCC[Sn](CCCC)(CCCC)C1=CC(=O)C(C)CC1
InChIInChI=1S/C7H9O.3C4H9.Sn/c1-6-4-2-3-5-7(6)8;3*1-3-4-2;/h5-6H,2,4H2,1H3;3*1,3-4H2,2H3;
InChIKeyHKQBBMGOZZBYAT-UHFFFAOYSA-N
XLogP6.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.21
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(6R)-6-methyl-3-tributylstannylcyclohex-2-en-1-one
CID 134959903
3-tributylstannylcyclobut-2-en-1-one
CID 10428388
(3-tributylstannylcyclopent-2-en-1-yl)carbamic acid
CID 68586998
3-(4-butoxyphenyl)-6-methylcyclohex-2-en-1-one
CID 54007281
tert-butyl-dimethyl-(3-tributylstannylcyclopent-2-en-1-yl)oxysilane
CID 15630112
3-(4-methyl-3-oxocyclohexen-1-yl)-1-propylpiperidin-2-one
CID 14493369
3-(4-ethoxyphenyl)-6-methylcyclohex-2-en-1-one
CID 14914996
tributyl-(1-methyl-2,3,6,7-tetrahydroazepin-4-yl)stannane
CID 59915378
3-[2-(1,3-dioxan-2-yl)ethyl]-6-methylcyclohex-2-en-1-one
CID 138532024
methyl 4-methyl-3-oxocyclohexene-1-carboxylate
CID 12943252
tributyl-(3-methyl-2,3-dihydrofuran-5-yl)stannane
CID 10937608
tributyl-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)stannane
CID 23532914

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-tributylstannylcyclohex-2-en-1-one?
The IUPAC name of 6-methyl-3-tributylstannylcyclohex-2-en-1-one (CID 138965334) is 6-methyl-3-tributylstannylcyclohex-2-en-1-one.
What is the SMILES notation for 6-methyl-3-tributylstannylcyclohex-2-en-1-one?
The canonical SMILES for 6-methyl-3-tributylstannylcyclohex-2-en-1-one is CCCC[Sn](CCCC)(CCCC)C1=CC(=O)C(C)CC1.
What is the InChIKey of 6-methyl-3-tributylstannylcyclohex-2-en-1-one?
The InChIKey is HKQBBMGOZZBYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O.3C4H9.Sn/c1-6-4-2-3-5-7(6)8;3*1-3-4-2;/h5-6H,2,4H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of 6-methyl-3-tributylstannylcyclohex-2-en-1-one?
6-methyl-3-tributylstannylcyclohex-2-en-1-one has a molecular weight of 399.21 g/mol, XLogP of 6.30, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-tributylstannylcyclohex-2-en-1-one is sourced from PubChem (CID 138965334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).